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

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-methylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-methylsulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-3-(methylthio)-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-methylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-(methylthio)-N-(3-pyridylmethyl)propionamide Formula: C22H36N3OS+ MolecularWeight: 390.60574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3OS/c1-27-14-11-22(26)25(16-19-7-5-12-23-15-19)18-20-8-6-13-24(17-20)21-9-3-2-4-10-21/h5,7,12,15,20-21H,2-4,6,8-11,13-14,16-18H2,1H3/p+1/t20-/m0/s1