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

Systemtic Name: 1-[[2-(3,4-dimethoxyphenyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(3,4-dimethoxyphenyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(3,4-dimethoxyphenyl)-7-methyl-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(3,4-dimethoxyphenyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C23H27N3O4 MolecularWeight: 409.47818

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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(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-15-6-11-26-18(14-25-9-7-16(8-10-25)23(27)28)22(24-21(26)12-15)17-4-5-19(29-2)20(13-17)30-3/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,27,28)