1-[(7-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(7-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(7-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-methyl-2-phenyl-3-imidazo[1,2-a]pyridinyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(7-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=CC2=NC(=C(N2C=C1)C[NH+]3CCC(CC3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH+]3CCC(CC3)C(=O)[O-])C4=CC=CC=C4

InChI

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