N-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-nitrobenzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-nitrobenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzamide Formula: C12H17N4O3+ MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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