4-[(E)-2-(1,1,4-trimethyl-3,4-dihydro-2H-quinolin-1-ium-7-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1,1,4-trimethyl-3,4-dihydro-2H-quinolin-1-ium-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1,1,4-trimethyl-3,4-dihydro-2H-quinolin-1-ium-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1,1,4-trimethyl-3,4-dihydro-2H-quinolin-1-ium-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,1,4-trimethyl-3,4-dihydro-2H-quinolin-1-ium-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(1,1,4-trimethyl-3,4-dihydro-2H-quinolin-1-ium-7-yl)prop-1-enyl]benzoic acid Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](C2=C1C=CC(=C2)C(=CC3=CC=C(C=C3)C(=O)O)C)(C)C

Isomeric SMILES

CC1CC[N+](C2=C1C=CC(=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C)(C)C

InChI

InChI=1S/C22H25NO2/c1-15-11-12-23(3,4)21-14-19(9-10-20(15)21)16(2)13-17-5-7-18(8-6-17)22(24)25/h5-10,13-15H,11-12H2,1-4H3/p+1/b16-13+