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

Systemtic Name: 1-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-methylphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-15-5-7-16(8-6-15)20-18(24-11-3-2-4-19(24)22-20)14-23-12-9-17(10-13-23)21(25)26/h2-8,11,17H,9-10,12-14H2,1H3,(H,25,26)