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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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