[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(2,6-diethylanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H28N2OS/c1-5-17-8-7-9-18(6-2)21(17)22-20(24)15-23(3)14-16-10-12-19(25-4)13-11-16/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1