N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-nitro-benzamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4/c31-24(19-27-26(32)22-12-7-13-23(18-22)30(33)34)28-14-16-29(17-15-28)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,25H,14-17,19H2,(H,27,32)/p+1