1-(4-methoxyphenyl)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]quinoxalin-2-one

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]quinoxalin-2-one Openeye Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]quinoxalin-2-one CAS Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]-2-quinoxalinone IUPAC Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]quinoxalin-2-one Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]-1-(4-methoxyphenyl)quinoxalin-2-one Formula: C27H28N5O3+ MolecularWeight: 470.54292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CCN(CC4)C5=CC=[NH+]C=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CCN(CC4)C5=CC=[NH+]C=C5

InChI

InChI=1S/C27H27N5O3/c1-35-22-8-6-21(7-9-22)32-25-5-3-2-4-23(25)29-24(27(32)34)10-11-26(33)31-18-16-30(17-19-31)20-12-14-28-15-13-20/h2-9,12-15H,10-11,16-19H2,1H3/p+1