[(3S)-1-methylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-methyl-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C14H20NOS+ MolecularWeight: 250.3797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)C2=CC=CC=C2SC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C14H19NOS/c1-15-9-5-6-11(10-15)14(16)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/p+1/t11-/m0/s1