[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(veratrylcarbamoyl)propyl]ammonium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@H](CCSC)[NH3+])OC

InChI

InChI=1S/C14H22N2O3S/c1-18-12-5-4-10(8-13(12)19-2)9-16-14(17)11(15)6-7-20-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)/p+1/t11-/m0/s1