tert-butyl 1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: tert-butyl 1,4-diazepan-4-ium-1-carboxylate Openeye Name: tert-butyl 1,4-diazepan-4-ium-1-carboxylate CAS Name: 1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,4-diazepan-4-ium-1-carboxylate Traditional Name: 1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester Formula: C10H21N2O2+ MolecularWeight: 201.28594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3/p+1