methyl (5R)-1,4-diazepan-1-ium-5-carboxylate

Systemtic Name: methyl (5R)-1,4-diazepan-1-ium-5-carboxylate Openeye Name: methyl (5R)-1,4-diazepan-1-ium-5-carboxylate CAS Name: (5R)-1,4-diazepan-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-1,4-diazepan-1-ium-5-carboxylate Traditional Name: (5R)-1,4-diazepan-1-ium-5-carboxylic acid methyl ester Formula: C7H15N2O2+ MolecularWeight: 159.2062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH2+]CCN1

Isomeric SMILES

COC(=O)[C@H]1CC[NH2+]CCN1

InChI

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