3-[[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-(4-isopropylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-2-p-cumenylvinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C24H24NO2+ MolecularWeight: 358.45286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO2/c1-18(2)22-10-8-19(9-11-22)6-7-20-12-14-25(15-13-20)17-21-4-3-5-23(16-21)24(26)27/h3-16,18H,17H2,1-2H3/p+1/b7-6-