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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-(2-pyridylthio)acetamide Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C22H27N3OS/c1-24(22(26)16-27-21-10-4-5-11-23-21)19-9-6-12-25(15-19)20-13-17-7-2-3-8-18(17)14-20/h2-5,7-8,10-11,19-20H,6,9,12-16H2,1H3/p+1/t19-/m0/s1