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

Systemtic Name: 1-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-bromophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O2/c21-16-6-4-14(5-7-16)19-17(24-10-2-1-3-18(24)22-19)13-23-11-8-15(9-12-23)20(25)26/h1-7,10,15H,8-9,11-13H2,(H,25,26)