1-[(2-tert-butyl-6-methyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2-tert-butyl-6-methyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-tert-butyl-6-methyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-tert-butyl-6-methyl-3-imidazo[1,2-a]pyridinyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-tert-butyl-6-methyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C2C[NH+]3CCC(CC3)C(=O)[O-])C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C2C[NH+]3CCC(CC3)C(=O)[O-])C(C)(C)C)C=C1

InChI

InChI=1S/C19H27N3O2/c1-13-5-6-16-20-17(19(2,3)4)15(22(16)11-13)12-21-9-7-14(8-10-21)18(23)24/h5-6,11,14H,7-10,12H2,1-4H3,(H,23,24)