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

Systemtic Name: 2-[2-azanyl-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-1-imidazol-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methylimidazol-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-phenyl-ethanone Formula: C20H22N3O+ MolecularWeight: 320.40818

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c1-14-9-10-17(11-15(14)2)18-12-23(20(21)22(18)3)13-19(24)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3/p+1