[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-methoxy-2-naphthyl)prop-2-enoate CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-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-(6-methoxynaphthalen-2-yl)prop-2-enoate Traditional Name: (E)-3-(6-methoxy-2-naphthyl)acrylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H25N3O4/c1-31-22-9-8-20-16-19(5-7-21(20)17-22)6-10-25(30)32-18-24(29)28-14-12-27(13-15-28)23-4-2-3-11-26-23/h2-11,16-17H,12-15,18H2,1H3/p+1/b10-6+