1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: 1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(3-pyridylmethyl)methanamine CAS Name: 1-[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-N-(3-pyridinylmethyl)methanamine IUPAC Name: 1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-(3-pyridylmethyl)amine Formula: C24H36N5S+ MolecularWeight: 426.64114

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN(CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)CN(C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C24H35N5S/c1-30-24-26-14-22(15-27-24)18-28(16-20-7-5-11-25-13-20)17-21-8-6-12-29(19-21)23-9-3-2-4-10-23/h5,7,11,13-15,21,23H,2-4,6,8-10,12,16-19H2,1H3/p+1/t21-/m1/s1