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

Systemtic Name: 6-chloranyl-7-methyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C19H19ClNO2S+ MolecularWeight: 360.87766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC3C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@@H]3C4=CC=CS4)Cl

InChI

InChI=1S/C19H18ClNO2S/c1-12-8-17-14(10-15(12)20)13(9-19(22)23-17)11-21-6-2-4-16(21)18-5-3-7-24-18/h3,5,7-10,16H,2,4,6,11H2,1H3/p+1/t16-/m1/s1