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

Systemtic Name: 8-methyl-7-oxidanyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C19H20NO3S+ MolecularWeight: 342.432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCC3C4=CC=CS4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC[C@@H]3C4=CC=CS4)O

InChI

InChI=1S/C19H19NO3S/c1-12-16(21)7-6-14-13(10-18(22)23-19(12)14)11-20-8-2-4-15(20)17-5-3-9-24-17/h3,5-7,9-10,15,21H,2,4,8,11H2,1H3/p+1/t15-/m1/s1