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

Systemtic Name: 4-[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide Openeye Name: 4-(3-benzyl-2-methyl-imidazol-3-ium-1-yl)-2,2-diphenyl-butanamide bromide CAS Name: 4-[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]-2,2-diphenylbutanamide bromide IUPAC Name: 4-(3-benzyl-2-methylimidazol-3-ium-1-yl)-2,2-diphenylbutanamide bromide Traditional Name: 4-(3-benzyl-2-methyl-imidazol-3-ium-1-yl)-2,2-diphenyl-butyramide bromide Formula: C27H28BrN3O MolecularWeight: 490.43472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H27N3O.BrH/c1-22-29(19-20-30(22)21-23-11-5-2-6-12-23)18-17-27(26(28)31,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-16,19-20H,17-18,21H2,1H3,(H-,28,31);1H