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

Systemtic Name: methyl (2R)-1,4-diazepan-1-ium-2-carboxylate Openeye Name: methyl (2R)-1,4-diazepan-1-ium-2-carboxylate CAS Name: (2R)-1,4-diazepan-1-ium-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-1,4-diazepan-1-ium-2-carboxylate Traditional Name: (2R)-1,4-diazepan-1-ium-2-carboxylic acid methyl ester Formula: C7H15N2O2+ MolecularWeight: 159.2062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CNCCC[NH2+]1

Isomeric SMILES

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

InChI

InChI=1S/C7H14N2O2/c1-11-7(10)6-5-8-3-2-4-9-6/h6,8-9H,2-5H2,1H3/p+1/t6-/m1/s1