7-ethyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C20H22NO2S+ MolecularWeight: 340.45918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C20H21NO2S/c1-2-14-7-8-16-15(12-20(22)23-18(16)11-14)13-21-9-3-5-17(21)19-6-4-10-24-19/h4,6-8,10-12,17H,2-3,5,9,13H2,1H3/p+1/t17-/m1/s1