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

Systemtic Name: 4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C19H20N2O3/c1-20-8-2-4-16(20)17-5-3-9-21(17)12-13-10-19(23)24-18-11-14(22)6-7-15(13)18/h2,4,6-8,10-11,17,22H,3,5,9,12H2,1H3/p+1/t17-/m1/s1