methyl 4-[(2,3-dimethyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-1-yl)methyl]benzoate bromide

Systemtic Name: methyl 4-[(2,3-dimethyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-1-yl)methyl]benzoate bromide Openeye Name: methyl 4-[(8-benzyloxy-2,3-dimethyl-imidazo[1,2-a]pyridin-4-ium-1-yl)methyl]benzoate bromide CAS Name: 4-[(2,3-dimethyl-8-phenylmethoxy-1-imidazo[1,2-a]pyridin-4-iumyl)methyl]benzoic acid methyl ester bromide IUPAC Name: methyl 4-[(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-4-ium-1-yl)methyl]benzoate bromide Traditional Name: 4-[(8-benzoxy-2,3-dimethyl-imidazo[1,2-a]pyridin-4-ium-1-yl)methyl]benzoic acid methyl ester bromide Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=CC=CC(=C2N1CC3=CC=C(C=C3)C(=O)OC)OCC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C([N+]2=CC=CC(=C2N1CC3=CC=C(C=C3)C(=O)OC)OCC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C25H25N2O3.BrH/c1-18-19(2)27(16-20-11-13-22(14-12-20)25(28)29-3)24-23(10-7-15-26(18)24)30-17-21-8-5-4-6-9-21;/h4-15H,16-17H2,1-3H3;1H/q+1;/p-1