2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(2-indan-5-ylsulfanylacetyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-(indan-5-ylthio)acetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H27N3O2S/c1-20(2)18(23)13-21-8-10-22(11-9-21)19(24)14-25-17-7-6-15-4-3-5-16(15)12-17/h6-7,12H,3-5,8-11,13-14H2,1-2H3/p+1