7-bromanyl-4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C22H23BrNO4+ MolecularWeight: 445.32632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H22BrNO4/c1-26-16-6-8-20(27-2)18(12-16)19-4-3-9-24(19)13-14-10-22(25)28-21-11-15(23)5-7-17(14)21/h5-8,10-12,19H,3-4,9,13H2,1-2H3/p+1/t19-/m0/s1