(2S)-azepan-1-ium-2-carboxylic acid chloride

Systemtic Name: (2S)-azepan-1-ium-2-carboxylic acid chloride Openeye Name: (2S)-azepan-1-ium-2-carboxylic acid chloride CAS Name: (2S)-2-azepan-1-iumcarboxylic acid chloride IUPAC Name: (2S)-azepan-1-ium-2-carboxylic acid chloride Traditional Name: (2S)-azepan-1-ium-2-carboxylic acid chloride Formula: C7H14ClNO2 MolecularWeight: 179.64456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)C(=O)O.[Cl-]

Isomeric SMILES

C1CC[C@H]([NH2+]CC1)C(=O)O.[Cl-]

InChI

InChI=1S/C7H13NO2.ClH/c9-7(10)6-4-2-1-3-5-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m0./s1