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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(2-chloro-5-nitro-phenyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(2-chloro-5-nitrophenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(2-chloro-5-nitrophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(2-chloro-5-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=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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