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

Systemtic Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-coumarin Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C24H27NO4/c1-4-16-7-9-19-17(13-24(26)29-23(19)12-16)15-25-11-5-6-21(25)20-14-18(27-2)8-10-22(20)28-3/h7-10,12-14,21H,4-6,11,15H2,1-3H3/p+1/t21-/m1/s1