1-[(E)-1-(4-dimethylaminophenyl)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-en-2-yl]pyridin-2-one

Systemtic Name: 1-[(E)-1-(4-dimethylaminophenyl)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-en-2-yl]pyridin-2-one Openeye Name: 1-[(E)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-dimethylaminophenyl)vinyl]pyridin-2-one CAS Name: 1-[(E)-1-(4-dimethylaminophenyl)-3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]prop-1-en-2-yl]-2-pyridinone IUPAC Name: 1-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one Traditional Name: 1-[(E)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-dimethylaminophenyl)vinyl]-2-pyridone Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N4C=CC=CC4=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)/N4C=CC=CC4=O

InChI

InChI=1S/C27H30N4O2/c1-28(2)24-13-11-22(12-14-24)20-25(31-15-7-6-10-26(31)32)27(33)30-18-16-29(17-19-30)21-23-8-4-3-5-9-23/h3-15,20H,16-19,21H2,1-2H3/p+1/b25-20+