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

Systemtic Name: 4-[3-[(3-chlorophenyl)methyl]-2-methyl-imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide Openeye Name: 4-[3-[(3-chlorophenyl)methyl]-2-methyl-imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide CAS Name: 4-[3-[(3-chlorophenyl)methyl]-2-methyl-1-imidazol-3-iumyl]-2,2-diphenylbutanamide bromide IUPAC Name: 4-[3-[(3-chlorophenyl)methyl]-2-methylimidazol-3-ium-1-yl]-2,2-diphenylbutanamide bromide Traditional Name: 4-[3-(3-chlorobenzyl)-2-methyl-imidazol-3-ium-1-yl]-2,2-diphenyl-butyramide bromide Formula: C27H27BrClN3O MolecularWeight: 524.87978

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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)Cl.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O.BrH/c1-21-30(17-18-31(21)20-22-9-8-14-25(28)19-22)16-15-27(26(29)32,23-10-4-2-5-11-23)24-12-6-3-7-13-24;/h2-14,17-19H,15-16,20H2,1H3,(H-,29,32);1H