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

Systemtic Name: 4-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-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=[N+](C(=C1)C=CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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