1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(3-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(=CC=C2)[N+](=O)[O-])C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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