[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl]-[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]ammonium CAS Name: [2-(3,4-dimethylanilino)-2-oxoethyl]-[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl]-[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-carbomethoxy-3-(methylthio)propyl]-[2-(3,4-dimethylanilino)-2-keto-ethyl]ammonium Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH2+]C(CCSC)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH2+][C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C16H24N2O3S/c1-11-5-6-13(9-12(11)2)18-15(19)10-17-14(7-8-22-4)16(20)21-3/h5-6,9,14,17H,7-8,10H2,1-4H3,(H,18,19)/p+1/t14-/m1/s1