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

Systemtic Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(homoveratrylcarbamoyl)-3-(methylthio)propyl]ammonium Formula: C15H25N2O3S+ MolecularWeight: 313.4356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3S/c1-19-13-5-4-11(10-14(13)20-2)6-8-17-15(18)12(16)7-9-21-3/h4-5,10,12H,6-9,16H2,1-3H3,(H,17,18)/p+1/t12-/m0/s1