[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl] benzoate perchlorate

Systemtic Name: [2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl] benzoate perchlorate Openeye Name: [2-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl] benzoate perchlorate CAS Name: benzoic acid [2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl] ester perchlorate IUPAC Name: [2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl] benzoate perchlorate Traditional Name: benzoic acid [2-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl] ester perchlorate Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2OC(=O)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2OC(=O)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H21N2O2.ClHO4/c1-23(2)20-14-11-18(12-15-20)13-16-21-10-6-7-17-24(21)26-22(25)19-8-4-3-5-9-19;2-1(3,4)5/h3-17H,1-2H3;(H,2,3,4,5)/q+1;/p-1