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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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