6-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-7H-imidazo[1,5-a]pyrazin-4-ium-8-one bromide

Systemtic Name: 6-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-7H-imidazo[1,5-a]pyrazin-4-ium-8-one bromide Openeye Name: 2-benzyl-6-(4-methoxyphenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-4-ium-8-one bromide CAS Name: 6-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-7H-imidazo[1,5-a]pyrazin-4-ium-8-one bromide IUPAC Name: 2-benzyl-6-(4-methoxyphenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-4-ium-8-one bromide Traditional Name: 2-benzyl-6-(4-methoxyphenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-4-ium-8-one bromide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)NC(=C[N+]2=CN1CC3=CC=CC=C3)C4=CC=C(C=C4)OC.[Br-]

Isomeric SMILES

CC1=C2C(=O)NC(=C[N+]2=CN1CC3=CC=CC=C3)C4=CC=C(C=C4)OC.[Br-]

InChI

InChI=1S/C21H19N3O2.BrH/c1-15-20-21(25)22-19(17-8-10-18(26-2)11-9-17)13-24(20)14-23(15)12-16-6-4-3-5-7-16;/h3-11,13-14H,12H2,1-2H3;1H