ethyl (2R)-1,4-diazepan-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1,4-diazepan-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1,4-diazepan-1-ium-2-carboxylate CAS Name: (2R)-1,4-diazepan-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1,4-diazepan-1-ium-2-carboxylate Traditional Name: (2R)-1,4-diazepan-1-ium-2-carboxylic acid ethyl ester Formula: C8H17N2O2+ MolecularWeight: 173.23278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CNCCC[NH2+]1

Isomeric SMILES

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

InChI

InChI=1S/C8H16N2O2/c1-2-12-8(11)7-6-9-4-3-5-10-7/h7,9-10H,2-6H2,1H3/p+1/t7-/m1/s1