[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-methylsulfanylpropyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-methylsulfanylpropyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-methylsulfanylpropyl)-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[3-(methylthio)propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-methylsulfanylpropyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[3-(methylthio)propyl]-(3-pyridylmethyl)ammonium Formula: C22H39N3S+2 MolecularWeight: 377.63016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3S/c1-26-15-7-13-24(17-20-8-5-12-23-16-20)18-21-9-6-14-25(19-21)22-10-3-2-4-11-22/h5,8,12,16,21-22H,2-4,6-7,9-11,13-15,17-19H2,1H3/p+2/t21-/m1/s1