1-(3,4-dimethoxyphenyl)sulfonyl-4-[3-(4-fluoranylphenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[3-(4-fluoranylphenoxy)propyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium Formula: C21H28FN2O5S+ MolecularWeight: 439.520823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H27FN2O5S/c1-27-20-9-8-19(16-21(20)28-2)30(25,26)24-13-11-23(12-14-24)10-3-15-29-18-6-4-17(22)5-7-18/h4-9,16H,3,10-15H2,1-2H3/p+1