1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-10(17)11-3-4-12(13(9-11)16(18)19)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3/p+1