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

Systemtic Name: ethyl 5-[4-azanyl-1-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoate Openeye Name: ethyl 5-[4-amino-1-(p-tolyl)phthalazin-2-ium-2-yl]pentanoate CAS Name: 5-[4-amino-1-(4-methylphenyl)-2-phthalazin-2-iumyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-amino-1-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoate Traditional Name: 5-[4-amino-1-(p-tolyl)phthalazin-2-ium-2-yl]valeric acid ethyl ester Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N3O2/c1-3-27-20(26)10-6-7-15-25-21(17-13-11-16(2)12-14-17)18-8-4-5-9-19(18)22(23)24-25/h4-5,8-9,11-14H,3,6-7,10,15H2,1-2H3,(H2,23,24)/q+1