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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]pyridazin-3-one Formula: C24H26ClN6O2+ MolecularWeight: 465.95524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)[NH+]5CCCC5

InChI

InChI=1S/C24H25ClN6O2/c1-33-21-11-5-2-8-16(21)20(30-12-6-7-13-30)15-26-19-14-27-31(23(32)22(19)25)24-28-17-9-3-4-10-18(17)29-24/h2-5,8-11,14,20,26H,6-7,12-13,15H2,1H3,(H,28,29)/p+1/t20-/m0/s1