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

Systemtic Name: [(2S)-1-[(1-ethoxycarbonylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(1-ethoxycarbonyl-4-piperidyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[(1-ethoxycarbonyl-4-piperidinyl)amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(1-ethoxycarbonylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(1-carbethoxy-4-piperidyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H26N3O3S+ MolecularWeight: 304.42884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H25N3O3S/c1-3-19-13(18)16-7-4-10(5-8-16)15-12(17)11(14)6-9-20-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)/p+1/t11-/m0/s1