tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H31N4O3+ MolecularWeight: 351.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H30N4O3/c1-17(2,3)25-16(24)22-10-6-9-21(11-12-22)13-15(23)20-18(14-19)7-4-5-8-18/h4-13H2,1-3H3,(H,20,23)/p+1