[(2S)-1-(4-ethoxycarbonylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-ethoxycarbonylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(4-ethoxycarbonylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-1-piperazinyl)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(4-carbethoxypiperazine-1-carbonyl)-3-(methylthio)propyl]ammonium Formula: C12H24N3O3S+ MolecularWeight: 290.40226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C12H23N3O3S/c1-3-18-12(17)15-7-5-14(6-8-15)11(16)10(13)4-9-19-2/h10H,3-9,13H2,1-2H3/p+1/t10-/m0/s1