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

Systemtic Name: 1-[3-(cyclohexylamino)-2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Openeye Name: 1-[8-benzyloxy-3-(cyclohexylamino)-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride CAS Name: 1-[3-(cyclohexylamino)-2-methyl-8-phenylmethoxy-1-imidazo[1,2-a]pyridin-4-iumyl]ethanone chloride IUPAC Name: 1-[3-(cyclohexylamino)-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Traditional Name: 1-[8-benzoxy-3-(cyclohexylamino)-2-methyl-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=CC=CC(=C2N1C(=O)C)OCC3=CC=CC=C3)NC4CCCCC4.[Cl-]

Isomeric SMILES

CC1=C([N+]2=CC=CC(=C2N1C(=O)C)OCC3=CC=CC=C3)NC4CCCCC4.[Cl-]

InChI

InChI=1S/C23H28N3O2.ClH/c1-17-22(24-20-12-7-4-8-13-20)25-15-9-14-21(23(25)26(17)18(2)27)28-16-19-10-5-3-6-11-19;/h3,5-6,9-11,14-15,20,24H,4,7-8,12-13,16H2,1-2H3;1H/q+1;/p-1