3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4,6,7-trimethyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=[N+](C=C1)CCCS(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=C2C=C(C(=CC2=[N+](C=C1)CCCS(=O)(=O)[O-])C)C

InChI

InChI=1S/C15H19NO3S/c1-11-5-7-16(6-4-8-20(17,18)19)15-10-13(3)12(2)9-14(11)15/h5,7,9-10H,4,6,8H2,1-3H3