N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C22H31N7O3+2 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N7O3/c1-25-8-10-27(11-9-25)21-7-2-18(16-23-21)17-24-22(30)28-14-12-26(13-15-28)19-3-5-20(6-4-19)29(31)32/h2-7,16H,8-15,17H2,1H3,(H,24,30)/p+2