3-{[(3-isopropoxypropyl)amino]sulfonyl}-1-[(2E)-3-phenyl-2-propenyl]pyridinium bromide

SpectraBase Compound ID	74dfgraF4L2
InChI	InChI=1S/C20H27N2O3S.BrH/c1-18(2)25-16-8-13-21-26(23,24)20-12-7-15-22(17-20)14-6-11-19-9-4-3-5-10-19;/h3-7,9-12,15,17-18,21H,8,13-14,16H2,1-2H3;1H/q+1;/p-1/b11-6+;
InChIKey	YWFJOBYFJZHWQU-ICSBZGNSSA-M Google Search
Mol Weight	455.41 g/mol
Molecular Formula	C20H27BrN2O3S
Exact Mass	454.092577 g/mol

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SpectraBase Spectrum ID	7HAhIck02gw
Name	3-{[(3-isopropoxypropyl)amino]sulfonyl}-1-[(2E)-3-phenyl-2-propenyl]pyridinium bromide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H27N2O3S.BrH/c1-18(2)25-16-8-13-21-26(23,24)20-12-7-15-22(17-20)14-6-11-19-9-4-3-5-10-19;/h3-7,9-12,15,17-18,21H,8,13-14,16H2,1-2H3;1H/q+1;/p-1/b11-6+;
InChIKey	YWFJOBYFJZHWQU-ICSBZGNSSA-M
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_17123
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 987/00004966; Labnumber: 987/00004966218860; VK_ID: VK-017128
Synonyms	3-{[(3-isopropoxypropyl)amino]sulfonyl}-1-[3-phenyl-2-propenyl]pyridinium bromide
Temperature	308 °C