methyl 2-azanyl-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride

Systemtic Name: methyl 2-azanyl-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride Openeye Name: methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride CAS Name: 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylic acid methyl ester chloride IUPAC Name: methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride Traditional Name: 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylic acid methyl ester chloride Formula: C7H14ClN3O2 MolecularWeight: 207.65796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]=C(N1)N.[Cl-]

Isomeric SMILES

COC(=O)C1CCC[NH+]=C(N1)N.[Cl-]

InChI

InChI=1S/C7H13N3O2.ClH/c1-12-6(11)5-3-2-4-9-7(8)10-5;/h5H,2-4H2,1H3,(H3,8,9,10);1H