tert-butyl 4-[4-(2-methylpropyl)imidazo[4,5-b]pyridin-4-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-methylpropyl)imidazo[4,5-b]pyridin-4-ium-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-isobutylimidazo[4,5-b]pyridin-4-ium-1-yl)piperidine-1-carboxylate CAS Name: 4-[4-(2-methylpropyl)-1-imidazo[4,5-b]pyridin-4-iumyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-methylpropyl)imidazo[4,5-b]pyridin-4-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-(4-isobutylimidazo[4,5-b]pyridin-4-ium-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=CC=CC2=C1N=CN2C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[N+]1=CC=CC2=C1N=CN2C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N4O2/c1-15(2)13-23-10-6-7-17-18(23)21-14-24(17)16-8-11-22(12-9-16)19(25)26-20(3,4)5/h6-7,10,14-16H,8-9,11-13H2,1-5H3/q+1