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

Systemtic Name: 7-methoxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-21-9-3-5-17(21)18-6-4-10-22(18)13-14-11-20(23)25-19-12-15(24-2)7-8-16(14)19/h3,5,7-9,11-12,18H,4,6,10,13H2,1-2H3/p+1/t18-/m1/s1