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

Systemtic Name: 4-[[4-[(Z)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-[(Z)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(Z)-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(=CC=C1C[N+]2=CC=C(C=C2)C=CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)/C=C\C3=CC=C(C=C3)O)C(=O)[O-]

InChI

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