methyl (2S,3S)-3-[(E)-hex-1-enyl]pyrrolidin-1-ium-2-carboxylate chloride

Systemtic Name: methyl (2S,3S)-3-[(E)-hex-1-enyl]pyrrolidin-1-ium-2-carboxylate chloride Openeye Name: methyl (2S,3S)-3-[(E)-hex-1-enyl]pyrrolidin-1-ium-2-carboxylate chloride CAS Name: (2S,3S)-3-[(E)-hex-1-enyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl (2S,3S)-3-[(E)-hex-1-enyl]pyrrolidin-1-ium-2-carboxylate chloride Traditional Name: (2S,3S)-3-[(E)-hex-1-enyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester chloride Formula: C12H22ClNO2 MolecularWeight: 247.76158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1CC[NH2+]C1C(=O)OC.[Cl-]

Isomeric SMILES

CCCC/C=C/[C@@H]1CC[NH2+][C@@H]1C(=O)OC.[Cl-]

InChI

InChI=1S/C12H21NO2.ClH/c1-3-4-5-6-7-10-8-9-13-11(10)12(14)15-2;/h6-7,10-11,13H,3-5,8-9H2,1-2H3;1H/b7-6+;/t10-,11+;/m1./s1