azanium; N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine; pentanedioic acid

Systemtic Name: azanium; N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine; pentanedioic acid Openeye Name: ammonium; N-(4-chlorophenyl)-4-(4-pyridylmethyl)phthalazin-1-amine; glutaric acid CAS Name: ammonium; N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine; pentanedioic acid IUPAC Name: azanium; N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine; pentanedioic acid Traditional Name: ammonium; (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine; glutaric acid Formula: C25H27ClN5O4+ MolecularWeight: 496.96598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.C(CC(=O)O)CC(=O)O.[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.C(CC(=O)O)CC(=O)O.[NH4+]

InChI

InChI=1S/C20H15ClN4.C5H8O4.H3N/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;6-4(7)2-1-3-5(8)9;/h1-12H,13H2,(H,23,25);1-3H2,(H,6,7)(H,8,9);1H3/p+1