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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

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