1-[3-(tert-butylamino)-2-phenyl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone chloride

Systemtic Name: 1-[3-(tert-butylamino)-2-phenyl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone chloride Openeye Name: 1-[3-(tert-butylamino)-2-phenyl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone chloride CAS Name: 1-[3-(tert-butylamino)-2-phenyl-1-imidazo[1,2-a]pyrimidin-4-iumyl]ethanone chloride IUPAC Name: 1-[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone chloride Traditional Name: 1-[3-(tert-butylamino)-2-phenyl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone chloride Formula: C18H21ClN4O MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C([N+]2=CC=CN=C12)NC(C)(C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=O)N1C(=C([N+]2=CC=CN=C12)NC(C)(C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H21N4O.ClH/c1-13(23)22-15(14-9-6-5-7-10-14)16(20-18(2,3)4)21-12-8-11-19-17(21)22;/h5-12,20H,1-4H3;1H/q+1;/p-1