1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C24H32N5O4+ MolecularWeight: 454.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O4/c1-33-23-8-6-21(7-9-23)27-16-18-28(19-17-27)24(30)10-11-25-12-14-26(15-13-25)20-2-4-22(5-3-20)29(31)32/h2-9H,10-19H2,1H3/p+1