2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Formula: C21H21ClN7O+ MolecularWeight: 422.89074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C21H20ClN7O/c22-19-18(28-11-9-27(10-12-28)14-15-5-7-23-8-6-15)13-24-29(20(19)30)21-25-16-3-1-2-4-17(16)26-21/h1-8,13H,9-12,14H2,(H,25,26)/p+1