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

Systemtic Name: (2S)-2-acetamido-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-ethyl-4-methylsulfanyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]butanamide CAS Name: (2S)-2-acetamido-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-ethyl-4-(methylthio)-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]butyramide Formula: C24H40N3O2S+ MolecularWeight: 434.6583

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C24H39N3O2S/c1-5-27(24(29)23(13-17-30-4)25-20(3)28)18-21-10-14-26(15-11-21)16-12-22-9-7-6-8-19(22)2/h6-9,21,23H,5,10-18H2,1-4H3,(H,25,28)/p+1/t23-/m0/s1