2-[2-azanyl-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 2-[2-azanyl-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methylimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Formula: C21H22N3O3+ MolecularWeight: 364.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H21N3O3/c1-13-4-5-15(8-14(13)2)17-10-24(21(22)23(17)3)11-18(25)16-6-7-19-20(9-16)27-12-26-19/h4-10,22H,11-12H2,1-3H3/p+1