N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-2-(methylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-(methylthio)-N-(3-pyridylmethyl)acetamide Formula: C21H34N3OS+ MolecularWeight: 376.57916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N(CC1CCC[NH+](C1)C2CCCCC2)CC3=CN=CC=C3

Isomeric SMILES

CSCC(=O)N(C[C@H]1CCC[NH+](C1)C2CCCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H33N3OS/c1-26-17-21(25)24(14-18-7-5-11-22-13-18)16-19-8-6-12-23(15-19)20-9-3-2-4-10-20/h5,7,11,13,19-20H,2-4,6,8-10,12,14-17H2,1H3/p+1/t19-/m0/s1