2-[(4-oxidanylidene-3-phenyl-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid Openeye Name: 2-[(4-oxo-3-phenyl-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid CAS Name: 2-[(4-oxo-3-phenyl-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid IUPAC Name: 2-[(4-oxo-3-phenyl-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid Traditional Name: 2-[(4-keto-3-phenyl-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid Formula: C22H17N2O3+ MolecularWeight: 357.38198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=NC(=C3C=CC=CC3C2=O)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=NC(=C3C=CC=CC3C2=O)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16N2O3/c25-21-19-13-7-6-12-18(19)20(23-24(21)16-9-2-1-3-10-16)14-15-8-4-5-11-17(15)22(26)27/h1-13,19H,14H2/p+1