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

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-4-nitro-benzamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C31H29N4O4+ MolecularWeight: 521.58636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H28N4O4/c36-30(25-15-17-26(18-16-25)35(38)39)32-28-14-8-7-13-27(28)31(37)34-21-19-33(20-22-34)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2,(H,32,36)/p+1