4-chloranyl-5-[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-2-phenyl-pyridazin-3-one Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H21ClN4O2S/c21-19-16(13-23-25(20(19)26)15-5-2-1-3-6-15)22-14-17(18-7-4-12-28-18)24-8-10-27-11-9-24/h1-7,12-13,17,22H,8-11,14H2/p+1/t17-/m1/s1