[4-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide

Systemtic Name: [4-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide Openeye Name: [4-(2-pyridin-1-ium-1-ylvinyl)phenyl] benzoate bromide CAS Name: benzoic acid [4-[2-(1-pyridin-1-iumyl)ethenyl]phenyl] ester bromide IUPAC Name: [4-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide Traditional Name: benzoic acid [4-(2-pyridin-1-ium-1-ylvinyl)phenyl] ester bromide Formula: C20H16BrNO2 MolecularWeight: 382.25054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H16NO2.BrH/c22-20(18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)13-16-21-14-5-2-6-15-21;/h1-16H;1H/q+1;/p-1