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

Systemtic Name: 3-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Formula: C24H25N4O3+ MolecularWeight: 417.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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