1-(2-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(2-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)methanimine CAS Name: 1-(2-nitrophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-(2-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)18-9-5-4-8-17(18)14-19-21-12-10-20(11-13-21)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1/b19-14+