3-[[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoic acid

Systemtic Name: 3-[[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoic acid Openeye Name: 3-[[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]methyl]benzoic acid CAS Name: 3-[[1-amino-4-(4-methylphenyl)-2-phthalazin-2-iumyl]methyl]benzoic acid IUPAC Name: 3-[[1-amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoic acid Traditional Name: 3-[[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]methyl]benzoic acid Formula: C23H20N3O2+ MolecularWeight: 370.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H19N3O2/c1-15-9-11-17(12-10-15)21-19-7-2-3-8-20(19)22(24)26(25-21)14-16-5-4-6-18(13-16)23(27)28/h2-13,24H,14H2,1H3,(H,27,28)/p+1