N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-2-(phenylthio)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-(phenylthio)acetamide Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS/c25-22(16-26-21-10-2-1-3-11-21)23-19-9-6-12-24(15-19)20-13-17-7-4-5-8-18(17)14-20/h1-5,7-8,10-11,19-20H,6,9,12-16H2,(H,23,25)/p+1/t19-/m0/s1