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

Systemtic Name: 1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H36N4OS+2 MolecularWeight: 392.60174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H34N4OS/c1-17(16-27-2)24-13-8-20(9-14-24)25-11-6-18(7-12-25)21(26)23-15-19-5-3-4-10-22-19/h3-5,10,17-18,20H,6-9,11-16H2,1-2H3,(H,23,26)/p+2/t17-/m0/s1