1-(4-chlorophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-veratryl-piperazin-4-ium Formula: C19H24ClN2O4S+ MolecularWeight: 411.92286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H23ClN2O4S/c1-25-18-8-3-15(13-19(18)26-2)14-21-9-11-22(12-10-21)27(23,24)17-6-4-16(20)5-7-17/h3-8,13H,9-12,14H2,1-2H3/p+1