1-(4-ethoxyphenyl)-2-(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)ethanone bromide

Systemtic Name: 1-(4-ethoxyphenyl)-2-(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)ethanone bromide Openeye Name: 1-(4-ethoxyphenyl)-2-(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)ethanone bromide CAS Name: 1-(4-ethoxyphenyl)-2-(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)ethanone bromide IUPAC Name: 1-(4-ethoxyphenyl)-2-(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)ethanone bromide Traditional Name: 1-p-phenetyl-2-(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)ethanone bromide Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=C(C=C3)OCC.[Br-]

Isomeric SMILES

CCCC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=C(C=C3)OCC.[Br-]

InChI

InChI=1S/C20H25N2O2.BrH/c1-3-6-18-19-7-5-12-21(19)13-14-22(18)15-20(23)16-8-10-17(11-9-16)24-4-2;/h5,7-12H,3-4,6,13-15H2,1-2H3;1H/q+1;/p-1