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

Systemtic Name: 4-[2-methyl-3-[(4-nitrophenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide Openeye Name: 4-[2-methyl-3-[(4-nitrophenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide bromide CAS Name: 4-[2-methyl-3-[(4-nitrophenyl)methyl]-1-imidazol-3-iumyl]-2,2-diphenylbutanamide bromide IUPAC Name: 4-[2-methyl-3-[(4-nitrophenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenylbutanamide bromide Traditional Name: 4-[2-methyl-3-(4-nitrobenzyl)imidazol-3-ium-1-yl]-2,2-diphenyl-butyramide bromide Formula: C27H27BrN4O3 MolecularWeight: 535.43228

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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=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3.BrH/c1-21-29(18-19-30(21)20-22-12-14-25(15-13-22)31(33)34)17-16-27(26(28)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24;/h2-15,18-19H,16-17,20H2,1H3,(H-,28,32);1H