2-[2-azanyl-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-[2-azanyl-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Openeye Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone CAS Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Traditional Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H20ClN3O/c1-13-4-5-16(10-14(13)2)18-11-24(20(22)23(18)3)12-19(25)15-6-8-17(21)9-7-15/h4-11,22H,12H2,1-3H3/p+1