1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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