6,7-dimethyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-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:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=CC=CS4)C

InChI

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