(E)-3-(4-methoxyphenyl)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-N-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]-3-(4-methoxyphenyl)acrylamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C22H26N4O3/c1-29-20-5-2-18(3-6-20)4-7-21(27)24-13-10-22(28)26-16-14-25(15-17-26)19-8-11-23-12-9-19/h2-9,11-12H,10,13-17H2,1H3,(H,24,27)/p+1/b7-4+