1-[3-(tert-butylamino)-2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride

Systemtic Name: 1-[3-(tert-butylamino)-2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Openeye Name: 1-[8-benzyloxy-3-(tert-butylamino)-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride CAS Name: 1-[3-(tert-butylamino)-2-methyl-8-phenylmethoxy-1-imidazo[1,2-a]pyridin-4-iumyl]ethanone chloride IUPAC Name: 1-[3-(tert-butylamino)-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Traditional Name: 1-[8-benzoxy-3-(tert-butylamino)-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=CC=CC(=C2N1C(=O)C)OCC3=CC=CC=C3)NC(C)(C)C.[Cl-]

Isomeric SMILES

CC1=C([N+]2=CC=CC(=C2N1C(=O)C)OCC3=CC=CC=C3)NC(C)(C)C.[Cl-]

InChI

InChI=1S/C21H26N3O2.ClH/c1-15-19(22-21(3,4)5)23-13-9-12-18(20(23)24(15)16(2)25)26-14-17-10-7-6-8-11-17;/h6-13,22H,14H2,1-5H3;1H/q+1;/p-1