N-(4-methylphenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(4-methylphenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide Openeye Name: 3-nitro-4-piperazin-4-ium-1-yl-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-3-nitro-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(4-methylphenyl)-3-nitro-4-piperazin-4-ium-1-ylbenzamide Traditional Name: 3-nitro-4-piperazin-4-ium-1-yl-N-(p-tolyl)benzamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-13-2-5-15(6-3-13)20-18(23)14-4-7-16(17(12-14)22(24)25)21-10-8-19-9-11-21/h2-7,12,19H,8-11H2,1H3,(H,20,23)/p+1