[2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(2-indan-5-ylsulfanylacetyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-(indan-5-ylthio)acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H26N2OS/c1-23(2)14-19-7-4-3-6-18(19)13-22-21(24)15-25-20-11-10-16-8-5-9-17(16)12-20/h3-4,6-7,10-12H,5,8-9,13-15H2,1-2H3,(H,22,24)/p+1