N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(phenylthio)acetamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(phenylthio)acetamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c24-21(17-25-20-11-5-2-6-12-20)22-19-10-7-14-23(16-19)15-13-18-8-3-1-4-9-18/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,22,24)/p+1/t19-/m0/s1