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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

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