4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3/c29-24(25-21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-26-14-16-27(17-15-26)22-8-4-5-9-23(22)28(30)31/h1-13H,14-18H2,(H,25,29)/p+1