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

Systemtic Name: 1-[(E)-1-(4-methoxyphenyl)-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-methoxyphenyl)vinyl]pyridin-2-one CAS Name: 1-[(E)-1-(4-methoxyphenyl)-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-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one Traditional Name: 1-[(E)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methoxyphenyl)vinyl]-2-pyridone Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N4C=CC=CC4=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)/N4C=CC=CC4=O

InChI

InChI=1S/C26H27N3O3/c1-32-23-12-10-21(11-13-23)19-24(29-14-6-5-9-25(29)30)26(31)28-17-15-27(16-18-28)20-22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3/p+1/b24-19+