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

Systemtic Name: 1-[[6-chloranyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[6-chloro-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-chloro-2-(3,4-dimethoxyphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[6-chloro-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[6-chloro-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)C[NH+]4CCC(CC4)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)C[NH+]4CCC(CC4)C(=O)[O-])OC

InChI

InChI=1S/C22H24ClN3O4/c1-29-18-5-3-15(11-19(18)30-2)21-17(26-12-16(23)4-6-20(26)24-21)13-25-9-7-14(8-10-25)22(27)28/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,27,28)