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

Systemtic Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: 3-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: 3-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C21H33N2O2S+ MolecularWeight: 377.56392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NCC3CCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H32N2O2S/c1-26-20-7-4-18(5-8-20)16-23-12-10-17(11-13-23)6-9-21(24)22-15-19-3-2-14-25-19/h4-5,7-8,17,19H,2-3,6,9-16H2,1H3,(H,22,24)/p+1/t19-/m1/s1