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

Systemtic Name: 1-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-3-(2-hydroxy-3-methoxy-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-5-(2-hydroxy-3-methoxy-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H]2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S/c1-26-17-7-4-6-14(20(17)25)16-12-15(18-8-5-11-27-18)21-23(16)19(24)13-22-9-2-3-10-22/h4-8,11,16,25H,2-3,9-10,12-13H2,1H3/p+1/t16-/m1/s1