[(E,2S)-4-chloranyl-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl]azanium chloride

Systemtic Name: [(E,2S)-4-chloranyl-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl]azanium chloride Openeye Name: [(E,1S)-3-chloro-4-ethoxy-1-methyl-4-oxo-but-2-enyl]ammonium chloride CAS Name: [(E,2S)-4-chloro-5-ethoxy-5-oxopent-3-en-2-yl]ammonium chloride IUPAC Name: [(E,2S)-4-chloro-5-ethoxy-5-oxopent-3-en-2-yl]azanium chloride Traditional Name: [(E,1S)-3-chloro-4-ethoxy-4-keto-1-methyl-but-2-enyl]ammonium chloride Formula: C7H13Cl2NO2 MolecularWeight: 214.08962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C)[NH3+])Cl.[Cl-]

Isomeric SMILES

CCOC(=O)/C(=C\[C@H](C)[NH3+])/Cl.[Cl-]

InChI

InChI=1S/C7H12ClNO2.ClH/c1-3-11-7(10)6(8)4-5(2)9;/h4-5H,3,9H2,1-2H3;1H/b6-4+;/t5-;/m0./s1