ethyl 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-4-ium-1-carboxylic acid ethyl ester Formula: C14H28N3O3+ MolecularWeight: 286.39042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC[NH+](CC1)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC[NH+](CC1)CC(=O)NC(C)(C)C

InChI

InChI=1S/C14H27N3O3/c1-5-20-13(19)17-8-6-7-16(9-10-17)11-12(18)15-14(2,3)4/h5-11H2,1-4H3,(H,15,18)/p+1