2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amino]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]amino]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amino]pyridazin-3-one Formula: C22H25ClN7OS+ MolecularWeight: 470.9982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)C5=CC=CS5

InChI

InChI=1S/C22H24ClN7OS/c1-28-8-10-29(11-9-28)18(19-7-4-12-32-19)14-24-17-13-25-30(21(31)20(17)23)22-26-15-5-2-3-6-16(15)27-22/h2-7,12-13,18,24H,8-11,14H2,1H3,(H,26,27)/p+1/t18-/m1/s1