5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloranyl-pyridazin-3-one

Systemtic Name: 5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloranyl-pyridazin-3-one Openeye Name: 5-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloro-pyridazin-3-one CAS Name: 5-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-(1H-benzimidazol-2-yl)-4-chloro-3-pyridazinone IUPAC Name: 5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloropyridazin-3-one Traditional Name: 5-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-yl)-4-chloro-pyridazin-3-one Formula: C23H29ClN7O2+ MolecularWeight: 470.97506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C23H28ClN7O2/c24-21-19(15-25-31(22(21)33)23-26-17-7-3-4-8-18(17)27-23)29-13-11-28(12-14-29)16-20(32)30-9-5-1-2-6-10-30/h3-4,7-8,15H,1-2,5-6,9-14,16H2,(H,26,27)/p+1