(4-methylpiperazin-4-ium-1-yl)-[3-(4-methylpiperazin-1-yl)carbonyl-5-nitro-phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[3-(4-methylpiperazin-1-yl)carbonyl-5-nitro-phenyl]methanone Openeye Name: [3-(4-methylpiperazine-1-carbonyl)-5-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[3-[(4-methyl-1-piperazinyl)-oxomethyl]-5-nitrophenyl]methanone IUPAC Name: [3-(4-methylpiperazine-1-carbonyl)-5-nitrophenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(4-methylpiperazine-1-carbonyl)-5-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H26N5O4+ MolecularWeight: 376.43014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)C(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)C(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-19-3-7-21(8-4-19)17(24)14-11-15(13-16(12-14)23(26)27)18(25)22-9-5-20(2)6-10-22/h11-13H,3-10H2,1-2H3/p+1