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

Systemtic Name: 2-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-imidazol-1-iumyl]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Formula: C25H22N3O3+ MolecularWeight: 412.46048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O3/c1-27-21(20-11-12-23-24(13-20)31-16-30-23)14-28(25(27)26)15-22(29)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,26H,15-16H2,1H3/p+1