[(3S)-3-[[(2R)-1-ethoxy-1-oxidanylidene-propan-2-yl]carbamoyl]hex-5-en-3-yl]azanium chloride

Systemtic Name: [(3S)-3-[[(2R)-1-ethoxy-1-oxidanylidene-propan-2-yl]carbamoyl]hex-5-en-3-yl]azanium chloride Openeye Name: [(1S)-1-[[(1R)-2-ethoxy-1-methyl-2-oxo-ethyl]carbamoyl]-1-ethyl-but-3-enyl]ammonium chloride CAS Name: [(3S)-3-[[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-oxomethyl]hex-5-en-3-yl]ammonium chloride IUPAC Name: [(3S)-3-[[(2R)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]hex-5-en-3-yl]azanium chloride Traditional Name: [(1S)-1-[[(1R)-2-ethoxy-2-keto-1-methyl-ethyl]carbamoyl]-1-ethyl-but-3-enyl]ammonium chloride Formula: C12H23ClN2O3 MolecularWeight: 278.77562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C)(C(=O)NC(C)C(=O)OCC)[NH3+].[Cl-]

Isomeric SMILES

CC[C@](CC=C)(C(=O)N[C@H](C)C(=O)OCC)[NH3+].[Cl-]

InChI

InChI=1S/C12H22N2O3.ClH/c1-5-8-12(13,6-2)11(16)14-9(4)10(15)17-7-3;/h5,9H,1,6-8,13H2,2-4H3,(H,14,16);1H/t9-,12+;/m1./s1