2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-chloro-pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-chloropyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-chloro-pyridazin-3-one Formula: C23H24ClN6O+ MolecularWeight: 435.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C23H23ClN6O/c24-21-20(26-17-10-12-29(13-11-17)15-16-6-2-1-3-7-16)14-25-30(22(21)31)23-27-18-8-4-5-9-19(18)28-23/h1-9,14,17,26H,10-13,15H2,(H,27,28)/p+1