4-[1-azanyl-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoic acid

Systemtic Name: 4-[1-azanyl-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoic acid Openeye Name: 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoic acid CAS Name: 4-[1-amino-4-(4-fluorophenyl)-2-phthalazin-2-iumyl]butanoic acid IUPAC Name: 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoic acid Traditional Name: 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butyric acid Formula: C18H17FN3O2+ MolecularWeight: 326.344883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=N[N+](=C2N)CCCC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=N[N+](=C2N)CCCC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2/c19-13-9-7-12(8-10-13)17-14-4-1-2-5-15(14)18(20)22(21-17)11-3-6-16(23)24/h1-2,4-5,7-10,20H,3,6,11H2,(H,23,24)/p+1