N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine CAS Name: N-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine Traditional Name: (E)-(4-benzhydrylpiperazin-4-ium-1-yl)-(3-nitrobenzylidene)amine Formula: C24H25N4O2+ MolecularWeight: 401.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O2/c29-28(30)23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2/p+1/b25-19+