1-[4-(3-ethanoyl-5-methyl-imidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one bromide

Systemtic Name: 1-[4-(3-ethanoyl-5-methyl-imidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one bromide Openeye Name: 1-[4-(3-acetyl-5-methyl-imidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one bromide CAS Name: 1-[4-(3-acetyl-5-methyl-1-imidazol-3-iumyl)but-2-ynyl]-2-pyrrolidinone bromide IUPAC Name: 1-[4-(3-acetyl-5-methylimidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one bromide Traditional Name: 1-[4-(3-acetyl-5-methyl-imidazol-3-ium-1-yl)but-2-ynyl]-2-pyrrolidone bromide Formula: C14H18BrN3O2 MolecularWeight: 340.21562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CN1CC#CCN2CCCC2=O)C(=O)C.[Br-]

Isomeric SMILES

CC1=C[N+](=CN1CC#CCN2CCCC2=O)C(=O)C.[Br-]

InChI

InChI=1S/C14H18N3O2.BrH/c1-12-10-17(13(2)18)11-16(12)8-4-3-7-15-9-5-6-14(15)19;/h10-11H,5-9H2,1-2H3;1H/q+1;/p-1