[(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-(2-hydroxyethyl)-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C13H20NO2S+ MolecularWeight: 254.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CCO

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CCO

InChI

InChI=1S/C13H19NO2S/c1-10-4-8-17-13(10)12(16)11-3-2-5-14(9-11)6-7-15/h4,8,11,15H,2-3,5-7,9H2,1H3/p+1/t11-/m0/s1