3-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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