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

Systemtic Name: tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C17H28N4O3/c1-16(2,3)24-15(23)21-10-8-20(9-11-21)12-14(22)19-17(13-18)6-4-5-7-17/h4-12H2,1-3H3,(H,19,22)/p+1