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

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]quinoxalin-2-one Openeye Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]quinoxalin-2-one CAS Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]-2-quinoxalinone IUPAC Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]quinoxalin-2-one Traditional Name: 3-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-1-(4-methoxyphenyl)quinoxalin-2-one Formula: C28H30N5O3+ MolecularWeight: 484.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

InChI=1S/C28H29N5O3/c1-36-23-8-6-22(7-9-23)33-26-5-3-2-4-24(26)30-25(28(33)35)10-11-27(34)32-18-16-31(17-19-32)20-21-12-14-29-15-13-21/h2-9,12-15H,10-11,16-20H2,1H3/p+1