(2S)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C13H24N2O3S MolecularWeight: 288.40626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H24N2O3S/c1-10-3-6-15(7-4-10)9-12(16)14-11(13(17)18)5-8-19-2/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)/t11-/m0/s1