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

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C19H24ClN2O2S+ MolecularWeight: 379.92406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23ClN2O2S/c1-15-13-19(16(2)12-18(15)20)25(23,24)22-10-8-21(9-11-22)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1