1-(2-chloranyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-chloro-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-chloro-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2-chloro-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c18-16-7-6-15(21(22)23)12-17(16)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1