1-(2-chloranyl-5-nitro-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-5-nitro-phenyl)methanimine CAS Name: 1-(2-chloro-5-nitrophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-5-nitrophenyl)methanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-(2-chloro-5-nitro-benzylidene)amine Formula: C18H20ClN4O2+ MolecularWeight: 359.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2/c19-18-7-6-17(23(24)25)12-16(18)13-20-22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1/b20-13-