1-[6-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(2,5-dimethoxyphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(2,5-dimethoxybenzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C19H25N3O4S2/c1-21-8-10-22(11-9-21)28(23,24)17-5-7-19(20-13-17)27-14-15-12-16(25-2)4-6-18(15)26-3/h4-7,12-13H,8-11,14H2,1-3H3/p+1