N-(4-chlorophenyl)-3-oxidanidyl-4-(pyridin-4-ylmethyl)phthalazin-3-ium-1-amine

Systemtic Name: N-(4-chlorophenyl)-3-oxidanidyl-4-(pyridin-4-ylmethyl)phthalazin-3-ium-1-amine Openeye Name: N-(4-chlorophenyl)-3-oxido-4-(4-pyridylmethyl)phthalazin-3-ium-1-amine CAS Name: N-(4-chlorophenyl)-3-oxido-4-(pyridin-4-ylmethyl)-1-phthalazin-3-iumamine IUPAC Name: N-(4-chlorophenyl)-3-oxido-4-(pyridin-4-ylmethyl)phthalazin-3-ium-1-amine Traditional Name: (4-chlorophenyl)-[3-oxido-4-(4-pyridylmethyl)phthalazin-3-ium-1-yl]amine Formula: C20H15ClN4O MolecularWeight: 362.8123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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