4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C12H17N4O3+ MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3/c1-14-4-6-15(7-5-14)10-3-2-9(12(13)17)8-11(10)16(18)19/h2-3,8H,4-7H2,1H3,(H2,13,17)/p+1