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

Systemtic Name: 1-(3-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine CAS Name: 1-(3-nitrophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-(3-nitrobenzylidene)amine Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2/c23-22(24)18-8-4-7-17(13-18)14-19-21-11-9-20(10-12-21)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1/b19-14+