2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-1-pyrrolin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)N.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)N.[Br-]

InChI

InChI=1S/C13H16N2O2.BrH/c1-17-11-6-4-10(5-7-11)12(16)9-15-8-2-3-13(15)14;/h4-7,14H,2-3,8-9H2,1H3;1H