1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium Formula: C20H26ClN2O4S+ MolecularWeight: 425.94944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C20H25ClN2O4S/c1-15-12-19(26-2)20(27-3)13-16(15)14-22-8-10-23(11-9-22)28(24,25)18-6-4-17(21)5-7-18/h4-7,12-13H,8-11,14H2,1-3H3/p+1