3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-5-ium-5-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-5-ium-5-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-5-ium-5-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)-5-imidazo[4,5-c]pyridin-5-iumyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-5-ium-5-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-5-ium-5-yl]butan-2-one Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CC2=C(C=C1)N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CC2=C(C=C1)N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C22H28N3O4/c1-22(2,3)19(26)13-25-9-8-16-15(12-25)23-21(24(16)4)14-10-17(27-5)20(29-7)18(11-14)28-6/h8-12H,13H2,1-7H3/q+1