1-(4-chloranyl-2-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium chloride

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium chloride Openeye Name: 1-benzyl-4-(4-chloro-2-nitro-phenyl)piperazin-1-ium chloride CAS Name: 1-(4-chloro-2-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium chloride IUPAC Name: 1-benzyl-4-(4-chloro-2-nitrophenyl)piperazin-1-ium chloride Traditional Name: 1-benzyl-4-(4-chloro-2-nitro-phenyl)piperazin-1-ium chloride Formula: C17H19Cl2N3O2 MolecularWeight: 368.25766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2.ClH/c18-15-6-7-16(17(12-15)21(22)23)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14;/h1-7,12H,8-11,13H2;1H