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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-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-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C23H27N3O5/c1-3-30-19-9-7-18(16-20(19)29-2)8-10-23(28)31-17-22(27)26-14-12-25(13-15-26)21-6-4-5-11-24-21/h4-11,16H,3,12-15,17H2,1-2H3/p+1/b10-8+