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

Systemtic Name: 7-oxidanyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C18H18NO3S+ MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CS4

InChI

InChI=1S/C18H17NO3S/c20-13-5-6-14-12(9-18(21)22-16(14)10-13)11-19-7-1-3-15(19)17-4-2-8-23-17/h2,4-6,8-10,15,20H,1,3,7,11H2/p+1/t15-/m1/s1