| SpectraBase Spectrum ID |
KHYnzpJDh7T |
| Name |
2-Amino-1,3-dimethyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate |
| Alternate Name(s) |
1,3-dimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine;2,4,6-trimethylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25N3O3S |
| InChI |
InChI=1S/C13H13N3.C9H12O3S/c1-8-7-12-13(9(2)16(8)14)10-5-3-4-6-11(10)15-12;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h3-7H,14H2,1-2H3;4-5H,1-3H3,(H,10,11,12) |
| InChIKey |
JKBSAHMWOHBHFB-UHFFFAOYSA-N |
| Molecular Weight |
411.520 g/mol |
| SMILES |
c1(S([O-])(=O)=O)c(cc(cc1C)C)C.[nH]1c2c(c3c([n+](c(cc13)C)N)C)cccc2 |
| SPLASH |
splash10-0002-0900000000-34ecdf03787071a13060 |
| Source of Spectrum |
J-64-3913-2 |
| Wiley ID |
1530213 |
![2-Amino-1,3-dimethyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate](/api/spectrum/KHYnzpJDh7T/structure.png?h=300&w=458 "2-Amino-1,3-dimethyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate")
