cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-p-anisyl-ammonium Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC=CC=C2SC)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC=CC=C2SC)C3CC3

InChI

InChI=1S/C20H24N2O2S/c1-24-17-11-7-15(8-12-17)13-22(16-9-10-16)14-20(23)21-18-5-3-4-6-19(18)25-2/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,21,23)/p+1