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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-(2-pyridylthio)acetamide Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C21H25N3OS/c25-20(15-26-21-9-3-4-10-22-21)23-18-8-5-11-24(14-18)19-12-16-6-1-2-7-17(16)13-19/h1-4,6-7,9-10,18-19H,5,8,11-15H2,(H,23,25)/p+1/t18-/m0/s1