4-nitro-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzamide

Systemtic Name: 4-nitro-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O4/c30-24(20-10-12-21(13-11-20)29(32)33)26-23-9-5-4-8-22(23)25(31)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,30)/p+1