[1-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [1-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-3-yl]-phenyl-methanone Openeye Name: [1-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-3-yl]-phenyl-methanone CAS Name: [1-methyl-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-pyrrolyl]-phenylmethanone IUPAC Name: [1-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-3-yl]-phenylmethanone Traditional Name: [1-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-3-yl]-phenyl-methanone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-24-16-19(23(28)18-5-3-2-4-6-18)15-22(24)17-25-11-13-26(14-12-25)20-7-9-21(10-8-20)27(29)30/h2-10,15-16H,11-14,17H2,1H3/p+1