tert-butyl N-[(3S)-2-oxidanylidene-1-piperidin-1-ium-4-yl-piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-2-oxidanylidene-1-piperidin-1-ium-4-yl-piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-2-oxo-1-piperidin-1-ium-4-yl-3-piperidyl]carbamate CAS Name: N-[(3S)-2-oxo-1-(4-piperidin-1-iumyl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-2-oxo-1-piperidin-1-ium-4-ylpiperidin-3-yl]carbamate Traditional Name: N-[(3S)-2-keto-1-piperidin-1-ium-4-yl-3-piperidyl]carbamic acid tert-butyl ester Formula: C15H28N3O3+ MolecularWeight: 298.40112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1=O)C2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCN(C1=O)C2CC[NH2+]CC2

InChI

InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-12-5-4-10-18(13(12)19)11-6-8-16-9-7-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)/p+1/t12-/m0/s1