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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Formula: C17H27N5O3+2 MolecularWeight: 349.42798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O3/c1-18-5-9-20(10-6-18)15-4-3-14(13-16(15)22(24)25)17(23)21-11-7-19(2)8-12-21/h3-4,13H,5-12H2,1-2H3/p+2