ethyl (3S)-4-oxidanylideneazepan-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-oxidanylideneazepan-1-ium-3-carboxylate Openeye Name: ethyl (3S)-4-oxoazepan-1-ium-3-carboxylate CAS Name: (3S)-4-oxo-3-azepan-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-oxoazepan-1-ium-3-carboxylate Traditional Name: (3S)-4-ketoazepan-1-ium-3-carboxylic acid ethyl ester Formula: C9H16NO3+ MolecularWeight: 186.22824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH2+]CCCC1=O

Isomeric SMILES

CCOC(=O)[C@H]1C[NH2+]CCCC1=O

InChI

InChI=1S/C9H15NO3/c1-2-13-9(12)7-6-10-5-3-4-8(7)11/h7,10H,2-6H2,1H3/p+1/t7-/m0/s1