1-(4-chloranyl-3-nitro-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(4-chloro-3-nitro-phenyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(4-chloro-3-nitrophenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(4-chloro-3-nitrophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(4-chloro-3-nitro-benzylidene)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C22H22ClN4O2+ MolecularWeight: 409.88868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C\C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O2/c23-21-9-8-17(14-22(21)27(28)29)15-24-26-12-10-25(11-13-26)16-19-6-3-5-18-4-1-2-7-20(18)19/h1-9,14-15H,10-13,16H2/p+1/b24-15-