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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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