(2S)-2-acetamido-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[[1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-(methylthio)butyramide Formula: C23H38N3O3S+ MolecularWeight: 436.63112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)N(C)CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N(C)CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H37N3O3S/c1-18(27)24-22(12-16-30-4)23(28)25(2)17-20-10-14-26(15-11-20)13-9-19-5-7-21(29-3)8-6-19/h5-8,20,22H,9-17H2,1-4H3,(H,24,27)/p+1/t22-/m0/s1