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

Systemtic Name: ethyl 4-[4-azanyl-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoate Openeye Name: ethyl 4-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoate CAS Name: 4-[4-amino-1-(4-chlorophenyl)-2-phthalazin-2-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoate Traditional Name: 4-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butyric acid ethyl ester Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN3O2/c1-2-26-18(25)8-5-13-24-19(14-9-11-15(21)12-10-14)16-6-3-4-7-17(16)20(22)23-24/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H2,22,23)/q+1