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

Systemtic Name: 3-[[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C23H23N2O2+ MolecularWeight: 359.44092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2/c1-24(2)21-12-9-18(10-13-21)11-14-22-8-3-4-15-25(22)17-19-6-5-7-20(16-19)23(26)27/h3-16H,17H2,1-2H3/p+1