N-(4-chlorophenyl)-4-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]phthalazin-1-amine

Systemtic Name: N-(4-chlorophenyl)-4-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]phthalazin-1-amine Openeye Name: N-(4-chlorophenyl)-4-[(1-oxidopyridin-1-ium-4-yl)methyl]phthalazin-1-amine CAS Name: N-(4-chlorophenyl)-4-[(1-oxido-4-pyridin-1-iumyl)methyl]-1-phthalazinamine IUPAC Name: N-(4-chlorophenyl)-4-[(1-oxidopyridin-1-ium-4-yl)methyl]phthalazin-1-amine Traditional Name: (4-chlorophenyl)-[4-[(1-oxidopyridin-1-ium-4-yl)methyl]phthalazin-1-yl]amine Formula: C20H15ClN4O MolecularWeight: 362.8123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H15ClN4O/c21-15-5-7-16(8-6-15)22-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-25(26)12-10-14/h1-12H,13H2,(H,22,24)