ethyl 4-[1-azanyl-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoate

Systemtic Name: ethyl 4-[1-azanyl-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoate Openeye Name: ethyl 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoate CAS Name: 4-[1-amino-4-(4-fluorophenyl)-2-phthalazin-2-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butanoate Traditional Name: 4-[1-amino-4-(4-fluorophenyl)phthalazin-2-ium-2-yl]butyric acid ethyl ester Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)N

Isomeric SMILES

CCOC(=O)CCC[N+]1=C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C20H20FN3O2/c1-2-26-18(25)8-5-13-24-20(22)17-7-4-3-6-16(17)19(23-24)14-9-11-15(21)12-10-14/h3-4,6-7,9-12,22H,2,5,8,13H2,1H3/p+1