1-(4-ethoxyphenyl)-2-(6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide

Systemtic Name: 1-(4-ethoxyphenyl)-2-(6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide Openeye Name: 1-(4-ethoxyphenyl)-2-(6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide CAS Name: 1-(4-ethoxyphenyl)-2-(6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide IUPAC Name: 1-(4-ethoxyphenyl)-2-(6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide Traditional Name: 2-(6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)-1-p-phenetyl-ethanone bromide Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](CCN2C1=CC=C2C)CC(=O)C3=CC=C(C=C3)OCC.[Br-]

Isomeric SMILES

CCCC1=[N+](CCN2C1=CC=C2C)CC(=O)C3=CC=C(C=C3)OCC.[Br-]

InChI

InChI=1S/C21H27N2O2.BrH/c1-4-6-19-20-12-7-16(3)23(20)14-13-22(19)15-21(24)17-8-10-18(11-9-17)25-5-2;/h7-12H,4-6,13-15H2,1-3H3;1H/q+1;/p-1