5-[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]-2,2-diphenyl-pentanamide bromide

Systemtic Name: 5-[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]-2,2-diphenyl-pentanamide bromide Openeye Name: 5-(3-benzyl-2-methyl-imidazol-3-ium-1-yl)-2,2-diphenyl-pentanamide bromide CAS Name: 5-[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]-2,2-diphenylpentanamide bromide IUPAC Name: 5-(3-benzyl-2-methylimidazol-3-ium-1-yl)-2,2-diphenylpentanamide bromide Traditional Name: 5-(3-benzyl-2-methyl-imidazol-3-ium-1-yl)-2,2-diphenyl-valeramide bromide Formula: C28H30BrN3O MolecularWeight: 504.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H29N3O.BrH/c1-23-30(20-21-31(23)22-24-12-5-2-6-13-24)19-11-18-28(27(29)32,25-14-7-3-8-15-25)26-16-9-4-10-17-26;/h2-10,12-17,20-21H,11,18-19,22H2,1H3,(H-,29,32);1H