[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-phenyl-2-propenoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)-2-phenyl-acrylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C27H27N3O4/c1-33-24-12-6-5-11-22(24)19-23(21-9-3-2-4-10-21)27(32)34-20-26(31)30-17-15-29(16-18-30)25-13-7-8-14-28-25/h2-14,19H,15-18,20H2,1H3/p+1/b23-19+