1-[6-[2-(4-methoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[2-(4-methoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[2-(4-methoxyphenoxy)ethylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[2-(4-methoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[2-(4-methoxyphenoxy)ethylthio]-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)SCCOC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N3O4S2/c1-21-9-11-22(12-10-21)28(23,24)18-7-8-19(20-15-18)27-14-13-26-17-5-3-16(25-2)4-6-17/h3-8,15H,9-14H2,1-2H3/p+1