4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-thiazolidine

Systemtic Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-thiazolidine Openeye Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]thiazolidine CAS Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(1-methyl-4-quinolin-1-iumyl)prop-2-enylidene]thiazolidine IUPAC Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-thiazolidine Traditional Name: (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]thiazolidine tosylate Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1CCSC1=CC=CC2=CC=[N+](C3=CC=CC=C23)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1CCS/C1=C/C=C/C2=CC=[N+](C3=CC=CC=C23)C

InChI

InChI=1S/C17H19N2S.C7H8O3S/c1-18-11-10-14(15-7-3-4-8-16(15)18)6-5-9-17-19(2)12-13-20-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1