(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C22H38N4OS+2 MolecularWeight: 406.62832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4CCCO4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+](C[C@H]2CCCO2)CC3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C22H36N4OS/c1-28-22-23-13-19(14-24-22)16-25(17-21-7-4-12-27-21)15-18-8-10-26(11-9-18)20-5-2-3-6-20/h13-14,18,20-21H,2-12,15-17H2,1H3/p+2/t21-/m1/s1