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

Systemtic Name: 3-[[4-[(Z)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C21H18NO3+ MolecularWeight: 332.37252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C[N+]2=CC=C(C=C2)C=CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C[N+]2=CC=C(C=C2)/C=C\C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H17NO3/c23-20-8-6-16(7-9-20)4-5-17-10-12-22(13-11-17)15-18-2-1-3-19(14-18)21(24)25/h1-14H,15H2,(H,24,25)/p+1