3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide

Systemtic Name: 3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide Openeye Name: 3-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide CAS Name: 3-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]-N-phenethylbenzamide IUPAC Name: 3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-phenethylbenzamide Traditional Name: 3-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide Formula: C24H33N2O2S+ MolecularWeight: 413.59602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2S/c1-19(18-29-2)26-15-12-22(13-16-26)28-23-10-6-9-21(17-23)24(27)25-14-11-20-7-4-3-5-8-20/h3-10,17,19,22H,11-16,18H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1