1-[2,3-bis(chloranyl)-6-nitro-phenyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,3-bis(chloranyl)-6-nitro-phenyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,3-dichloro-6-nitro-phenyl)piperazin-1-ium CAS Name: 1-(2,3-dichloro-6-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,3-dichloro-6-nitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2,3-dichloro-6-nitro-phenyl)piperazin-1-ium Formula: C17H18Cl2N3O2+ MolecularWeight: 367.24972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC(=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC(=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17Cl2N3O2/c18-14-6-7-15(22(23)24)17(16(14)19)21-10-8-20(9-11-21)12-13-4-2-1-3-5-13/h1-7H,8-12H2/p+1