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

Systemtic Name: 1-[[6-chloranyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-chloro-2-(3-methoxyphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-28-17-4-2-3-15(11-17)20-18(25-12-16(22)5-6-19(25)23-20)13-24-9-7-14(8-10-24)21(26)27/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,27)