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

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

Isomeric SMILES

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

InChI

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