N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Traditional Name: (E)-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(3-nitrobenzylidene)amine Formula: C18H20ClN4O2+ MolecularWeight: 359.83

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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