1-(3,4-dimethoxyphenyl)sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N2O4S/c1-25-19-9-8-18(16-20(19)26-2)27(23,24)22-14-12-21(13-15-22)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3/p+1