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

Systemtic Name: 1-[[6-chloranyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-chloro-2-(4-phenylphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClN3O2/c27-22-10-11-24-28-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)23(30(24)16-22)17-29-14-12-21(13-15-29)26(31)32/h1-11,16,21H,12-15,17H2,(H,31,32)