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

Systemtic Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C23H25NO5/c1-26-16-7-9-19(21(12-16)28-3)20-5-4-10-24(20)14-15-11-23(25)29-22-13-17(27-2)6-8-18(15)22/h6-9,11-13,20H,4-5,10,14H2,1-3H3/p+1/t20-/m1/s1