2-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-acetyl-N-methyl-2-nitro-anilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-acetyl-N-methyl-2-nitroanilino)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-acetyl-N-methyl-2-nitroanilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(4-acetyl-N-methyl-2-nitro-anilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N(C)CC(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N(C)CC(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4/c1-12(21)13-4-5-14(15(10-13)20(23)24)18(3)11-16(22)19-8-6-17(2)7-9-19/h4-5,10H,6-9,11H2,1-3H3/p+1