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

Systemtic Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[(2R)-2-(2,5-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=CC(=C(C=C1)OC)C2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-26-16-7-9-21(28-3)19(12-16)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