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

Systemtic Name: 7-methyl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C19H20NO2S+ MolecularWeight: 326.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C19H19NO2S/c1-13-6-7-15-14(11-19(21)22-17(15)10-13)12-20-8-2-4-16(20)18-5-3-9-23-18/h3,5-7,9-11,16H,2,4,8,12H2,1H3/p+1/t16-/m0/s1