[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC)OCC

InChI

InChI=1S/C21H28N2O3S/c1-5-25-19-12-9-17(13-20(19)26-6-2)22-21(24)15-23(3)14-16-7-10-18(27-4)11-8-16/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1