4-[2-methyl-3-[(3-methylphenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide

Systemtic Name: 4-[2-methyl-3-[(3-methylphenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide Openeye Name: 4-[2-methyl-3-(m-tolylmethyl)imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide CAS Name: 4-[2-methyl-3-[(3-methylphenyl)methyl]-1-imidazol-3-iumyl]-2,2-diphenylbutanamide bromide IUPAC Name: 4-[2-methyl-3-[(3-methylphenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenylbutanamide bromide Traditional Name: 4-[2-methyl-3-(3-methylbenzyl)imidazol-3-ium-1-yl]-2,2-diphenyl-butyramide bromide Formula: C28H30BrN3O MolecularWeight: 504.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2=C(N(C=C2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C.[Br-]

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2=C(N(C=C2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C.[Br-]

InChI

InChI=1S/C28H29N3O.BrH/c1-22-10-9-11-24(20-22)21-31-19-18-30(23(31)2)17-16-28(27(29)32,25-12-5-3-6-13-25)26-14-7-4-8-15-26;/h3-15,18-20H,16-17,21H2,1-2H3,(H-,29,32);1H