3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c19-18(23)15-6-7-16(17(12-15)22(24)25)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,19,23)/p+1