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

Systemtic Name: 2-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-imidazol-1-iumyl]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4/c1-22-16(13-6-7-18-19(9-13)27-12-26-18)10-23(20(22)21)11-17(24)14-4-3-5-15(8-14)25-2/h3-10,21H,11-12H2,1-2H3/p+1