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

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-1-(2-chloro-4-nitro-phenyl)piperazin-1-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-1-(2-chloro-4-nitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-1-(2-chloro-4-nitro-phenyl)piperazin-1-ium Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN3O2/c18-16-12-15(20(22)23)6-7-17(16)21(10-8-19-9-11-21)13-14-4-2-1-3-5-14/h1-7,12,19H,8-11,13H2/q+1