4-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[(Z)-2-(4-ethylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 4-[[4-[(Z)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[(Z)-2-(4-ethylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C23H22NO2+ MolecularWeight: 344.42628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\C2=CC=[N+](C=C2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H21NO2/c1-2-18-3-5-19(6-4-18)7-8-20-13-15-24(16-14-20)17-21-9-11-22(12-10-21)23(25)26/h3-16H,2,17H2,1H3/p+1/b8-7-