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

Systemtic Name: 1-[[8-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[8-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[8-methyl-2-(4-phenylphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[8-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[8-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2C[NH+]3CCC(CC3)C(=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2C[NH+]3CCC(CC3)C(=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-19-6-5-15-30-24(18-29-16-13-23(14-17-29)27(31)32)25(28-26(19)30)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-12,15,23H,13-14,16-18H2,1H3,(H,31,32)