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

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

Isomeric SMILES

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

InChI

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