[4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[2-methyl-2-(4-methyl-1-piperazin-1-iumyl)propyl]amino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-phenyl]-phenyl-methanone Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])[NH+]3CCN(CC3)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])[NH+]3CCN(CC3)C

InChI

InChI=1S/C22H28N4O3/c1-22(2,25-13-11-24(3)12-14-25)16-23-19-10-9-18(15-20(19)26(28)29)21(27)17-7-5-4-6-8-17/h4-10,15,23H,11-14,16H2,1-3H3/p+1