dimethyl-[2-[3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[1-oxo-3-[1-(4-thianyl)-4-piperidin-1-iumyl]propyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propanoylamino]ethyl]ammonium Formula: C17H35N3OS+2 MolecularWeight: 329.5443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)C2CCSCC2

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)C2CCSCC2

InChI

InChI=1S/C17H33N3OS/c1-19(2)12-9-18-17(21)4-3-15-5-10-20(11-6-15)16-7-13-22-14-8-16/h15-16H,3-14H2,1-2H3,(H,18,21)/p+2