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

Systemtic Name: 2-(2-azanyl-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-(2-amino-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-(2-amino-3-methyl-4-phenyl-1-imidazol-1-iumyl)-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-(2-amino-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Formula: C19H18N3O3+ MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3/c1-21-15(13-5-3-2-4-6-13)10-22(19(21)20)11-16(23)14-7-8-17-18(9-14)25-12-24-17/h2-10,20H,11-12H2,1H3/p+1