methyl 1,4-diazepane-5-carboxylate dihydrochloride

Systemtic Name: methyl 1,4-diazepane-5-carboxylate dihydrochloride Openeye Name: methyl 1,4-diazepane-5-carboxylate dihydrochloride CAS Name: 1,4-diazepane-5-carboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 1,4-diazepane-5-carboxylate dihydrochloride Traditional Name: 1,4-diazepane-5-carboxylic acid methyl ester dihydrochloride Formula: C7H16Cl2N2O2 MolecularWeight: 231.12014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCNCCN1.Cl.Cl

Isomeric SMILES

COC(=O)C1CCNCCN1.Cl.Cl

InChI

InChI=1S/C7H14N2O2.2ClH/c1-11-7(10)6-2-3-8-4-5-9-6;;/h6,8-9H,2-5H2,1H3;2*1H