3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methyl-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-methylquinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC=C(C=C3)N(C)C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC=C(C=C3)N(C)C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C23H26N2O3S/c1-18-5-14-23-20(17-18)9-13-22(25(23)15-4-16-29(26,27)28)12-8-19-6-10-21(11-7-19)24(2)3/h5-14,17H,4,15-16H2,1-3H3