ethyl 5-[1-azanyl-4-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoate

Systemtic Name: ethyl 5-[1-azanyl-4-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoate Openeye Name: ethyl 5-[1-amino-4-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoate CAS Name: 5-[1-amino-4-(4-chlorophenyl)-2-phthalazin-2-iumyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[1-amino-4-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoate Traditional Name: 5-[1-amino-4-(4-chlorophenyl)phthalazin-2-ium-2-yl]valeric acid ethyl ester Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c1-2-27-19(26)9-5-6-14-25-21(23)18-8-4-3-7-17(18)20(24-25)15-10-12-16(22)13-11-15/h3-4,7-8,10-13,23H,2,5-6,9,14H2,1H3/p+1