3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: 3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: 3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NCC3CCCO3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C19H30N4O2S/c1-26-19-21-11-16(12-22-19)14-23-8-6-15(7-9-23)4-5-18(24)20-13-17-3-2-10-25-17/h11-12,15,17H,2-10,13-14H2,1H3,(H,20,24)/p+1/t17-/m1/s1