5-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoic acid

Systemtic Name: 5-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoic acid Openeye Name: 5-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]pentanoic acid CAS Name: 5-[1-amino-4-(4-methylphenyl)-2-phthalazin-2-iumyl]pentanoic acid IUPAC Name: 5-[1-amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoic acid Traditional Name: 5-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]valeric acid Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CCCCC(=O)O

InChI

InChI=1S/C20H21N3O2/c1-14-9-11-15(12-10-14)19-16-6-2-3-7-17(16)20(21)23(22-19)13-5-4-8-18(24)25/h2-3,6-7,9-12,21H,4-5,8,13H2,1H3,(H,24,25)/p+1