ethyl 1,4-diazepan-4-ium-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CCOC(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C8H16N2O2/c1-2-12-8(11)10-6-3-4-9-5-7-10/h9H,2-7H2,1H3/p+1