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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(3,4-dimethoxyanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S/c1-21(12-14-5-8-16(25-4)9-6-14)13-19(22)20-15-7-10-17(23-2)18(11-15)24-3/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1