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

Systemtic Name: 2-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-imidazol-1-iumyl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(p-tolyl)ethanone Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C(=C2)C3=CC4=C(C=C3)OCO4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C(=C2)C3=CC4=C(C=C3)OCO4)C)N

InChI

InChI=1S/C20H19N3O3/c1-13-3-5-14(6-4-13)17(24)11-23-10-16(22(2)20(23)21)15-7-8-18-19(9-15)26-12-25-18/h3-10,21H,11-12H2,1-2H3/p+1