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

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-phenylsulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-2-(phenylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-(phenylthio)-N-(3-pyridylmethyl)acetamide Formula: C26H36N3OS+ MolecularWeight: 438.64854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C26H35N3OS/c30-26(21-31-25-13-5-2-6-14-25)29(18-22-9-7-15-27-17-22)20-23-10-8-16-28(19-23)24-11-3-1-4-12-24/h2,5-7,9,13-15,17,23-24H,1,3-4,8,10-12,16,18-21H2/p+1/t23-/m0/s1