[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-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)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H24N2OS/c1-22(14-15-8-12-18(24-2)13-9-15)19(16-6-4-3-5-7-16)20(23)21-17-10-11-17/h3-9,12-13,17,19H,10-11,14H2,1-2H3,(H,21,23)/p+1/t19-/m1/s1