[4-[(4-chlorophenyl)amino]phthalazin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanol

Systemtic Name: [4-[(4-chlorophenyl)amino]phthalazin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanol Openeye Name: [4-(4-chloroanilino)phthalazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanol CAS Name: [4-(4-chloroanilino)-1-phthalazinyl]-(1-oxido-4-pyridin-1-iumyl)methanol IUPAC Name: [4-(4-chloroanilino)phthalazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanol Traditional Name: [4-(4-chloroanilino)phthalazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanol Formula: C20H15ClN4O2 MolecularWeight: 378.8117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O2/c21-14-5-7-15(8-6-14)22-20-17-4-2-1-3-16(17)18(23-24-20)19(26)13-9-11-25(27)12-10-13/h1-12,19,26H,(H,22,24)