3-[methyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]amino]propane-1-sulfonate

Systemtic Name: 3-[methyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]amino]propane-1-sulfonate Openeye Name: 3-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]anilino]propane-1-sulfonate CAS Name: 3-[N-methyl-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]anilino]-1-propanesulfonate IUPAC Name: 3-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]anilino]propane-1-sulfonate Traditional Name: 3-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]anilino]propane-1-sulfonate Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H24N2O3S/c1-23(16-5-17-28(25,26)27)20-12-8-18(9-13-20)10-14-21-15-11-19-6-3-4-7-22(19)24(21)2/h3-4,6-15H,5,16-17H2,1-2H3