1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)ethanone Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3/c29-24(19-22-13-7-8-14-23(22)28(30)31)26-15-17-27(18-16-26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2/p+1