methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]-methyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC)C(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC)[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-24(16-20(26)23-18-12-6-7-13-19(18)28-2)21(17-10-4-3-5-11-17)22(27)25-14-8-9-15-25/h3-7,10-13,21H,8-9,14-16H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1