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

Systemtic Name: 4-[2-methyl-3-[(3-methylphenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide Openeye Name: 4-[2-methyl-3-(m-tolylmethyl)imidazol-3-ium-1-yl]-2,2-diphenyl-butanamide CAS Name: 4-[2-methyl-3-[(3-methylphenyl)methyl]-1-imidazol-3-iumyl]-2,2-diphenylbutanamide IUPAC Name: 4-[2-methyl-3-[(3-methylphenyl)methyl]imidazol-3-ium-1-yl]-2,2-diphenylbutanamide Traditional Name: 4-[2-methyl-3-(3-methylbenzyl)imidazol-3-ium-1-yl]-2,2-diphenyl-butyramide Formula: C28H30N3O+ MolecularWeight: 424.5573

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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

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

InChI

InChI=1S/C28H29N3O/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)/p+1