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

Systemtic Name: 1-[4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-nitro-phenyl]ethanone Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-14(24)15-3-8-18(19(13-15)23(25)26)20-16-4-6-17(7-5-16)22-11-9-21(2)10-12-22/h3-8,13,20H,9-12H2,1-2H3/p+1