[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(indan-5-ylamino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H24N2OS/c1-22(13-15-6-10-19(24-2)11-7-15)14-20(23)21-18-9-8-16-4-3-5-17(16)12-18/h6-12H,3-5,13-14H2,1-2H3,(H,21,23)/p+1