1-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-[(1S)-1-methyl-3-methylsulfanyl-propyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[1-[(2S)-4-(methylthio)butan-2-yl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-[(1S)-1-methyl-3-(methylthio)propyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)isonipecotamide Formula: C22H37N4OS+ MolecularWeight: 405.62038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)[NH+]1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C[C@@H](CCSC)[NH+]1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H36N4OS/c1-18(9-15-28-2)25-13-7-21(8-14-25)26-11-5-20(6-12-26)22(27)24-17-19-4-3-10-23-16-19/h3-4,10,16,18,20-21H,5-9,11-15,17H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1