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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-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-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C20H21N4O5+ MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c25-19(23-13-11-22(12-14-23)18-3-1-2-10-21-18)15-29-20(26)9-6-16-4-7-17(8-5-16)24(27)28/h1-10H,11-15H2/p+1/b9-6+