tert-butyl 4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperidinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCC(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCC(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(28)24-13-8-17(9-14-24)20(27)23-11-6-16(7-12-23)19(26)18-5-4-10-25(29)15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3