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

Systemtic Name: 3-[4-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-(N-acetylanilino)vinyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-(N-acetylanilino)ethenyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-(N-acetylanilino)ethenyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-(N-acetylanilino)vinyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=CC=[N+](C2=CC=CC=C12)CCCS(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(/C=C/C1=CC=[N+](C2=CC=CC=C12)CCCS(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-18(25)24(20-8-3-2-4-9-20)16-13-19-12-15-23(14-7-17-29(26,27)28)22-11-6-5-10-21(19)22/h2-6,8-13,15-16H,7,14,17H2,1H3