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

Systemtic Name: 1-[[6-bromanyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[6-bromo-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-bromo-2-(4-methylphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[6-bromo-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)C[NH+]4CCC(CC4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)C[NH+]4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C21H22BrN3O2/c1-14-2-4-15(5-3-14)20-18(25-12-17(22)6-7-19(25)23-20)13-24-10-8-16(9-11-24)21(26)27/h2-7,12,16H,8-11,13H2,1H3,(H,26,27)