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

Systemtic Name: 1-[(6-chloranyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(6-chloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-2-phenyl-3-imidazo[1,2-a]pyridinyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2/c21-16-6-7-18-22-19(14-4-2-1-3-5-14)17(24(18)12-16)13-23-10-8-15(9-11-23)20(25)26/h1-7,12,15H,8-11,13H2,(H,25,26)