1-[[2-(4-bromophenyl)-8-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[2-(4-bromophenyl)-8-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(4-bromophenyl)-8-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-bromophenyl)-8-methyl-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-bromophenyl)-8-methyl-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=CN2C1=NC(=C2C[NH+]3CCC(CC3)C(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2C[NH+]3CCC(CC3)C(=O)[O-])C4=CC=C(C=C4)Br

InChI

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