2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-phenyl-pentan-1-one bromide

Systemtic Name: 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-phenyl-pentan-1-one bromide Openeye Name: 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-phenyl-pentan-1-one bromide CAS Name: 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-phenyl-1-pentanone bromide IUPAC Name: 2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-1-phenylpentan-1-one bromide Traditional Name: 2-(3-methyl-4-imidazolin-3-ium-1-yl)-1-phenyl-pentan-1-one bromide Formula: C15H21BrN2O MolecularWeight: 325.24404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)N2C[NH+](C=C2)C.[Br-]

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)N2C[NH+](C=C2)C.[Br-]

InChI

InChI=1S/C15H20N2O.BrH/c1-3-7-14(17-11-10-16(2)12-17)15(18)13-8-5-4-6-9-13;/h4-6,8-11,14H,3,7,12H2,1-2H3;1H