4-chloranyl-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-phenyl-pyridazin-3-one Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H23ClN4O2/c22-20-17(14-24-26(21(20)27)16-8-3-1-4-9-16)23-15-18(19-10-7-13-28-19)25-11-5-2-6-12-25/h1,3-4,7-10,13-14,18,23H,2,5-6,11-12,15H2/p+1/t18-/m1/s1