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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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