1-[(3R)-3-(4-methoxy-3-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(3R)-3-(4-methoxy-3-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3R)-3-(3-hydroxy-4-methoxy-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3R)-3-(3-hydroxy-4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(3-hydroxy-4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5R)-5-(3-hydroxy-4-methoxy-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=CS4)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=CS4)O

InChI

InChI=1S/C20H23N3O4S/c1-26-18-5-4-14(11-17(18)24)16-12-15(19-3-2-10-28-19)21-23(16)20(25)13-22-6-8-27-9-7-22/h2-5,10-11,16,24H,6-9,12-13H2,1H3/p+1/t16-/m1/s1