3-methylsulfanyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propanamide

Systemtic Name: 3-methylsulfanyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: 3-methylsulfanyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propanamide CAS Name: 3-(methylthio)-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: 3-(methylthio)-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]propionamide Formula: C19H27N5OS+2 MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSCCC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N5OS/c1-26-14-7-18(25)22-15-16-5-4-9-21-19(16)24-12-10-23(11-13-24)17-6-2-3-8-20-17/h2-6,8-9H,7,10-15H2,1H3,(H,22,25)/p+2