tert-butyl 4-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-oxo-1,4-diazepan-1-ium-1-yl)piperidine-1-carboxylate CAS Name: 4-(5-oxo-1,4-diazepan-1-ium-1-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-oxo-1,4-diazepan-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-(5-keto-1,4-diazepan-1-ium-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C15H28N3O3+ MolecularWeight: 298.40112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)[NH+]2CCC(=O)NCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)[NH+]2CCC(=O)NCC2

InChI

InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-12(5-9-18)17-10-6-13(19)16-7-11-17/h12H,4-11H2,1-3H3,(H,16,19)/p+1