(4R)-4-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-7-oxidanyl-3,4-dihydrochromen-2-one

Systemtic Name: (4R)-4-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-7-oxidanyl-3,4-dihydrochromen-2-one Openeye Name: (4R)-7-hydroxy-4-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]chroman-2-one CAS Name: (4R)-7-hydroxy-4-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (4R)-7-hydroxy-4-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Traditional Name: (4R)-7-hydroxy-4-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]chroman-2-one Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)OC3=C2C=CC(=C3)O)OCC[NH+]4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2CC(=O)OC3=C2C=CC(=C3)O)OCC[NH+]4CCCC4

InChI

InChI=1S/C22H25NO5/c1-26-21-12-15(4-7-19(21)27-11-10-23-8-2-3-9-23)18-14-22(25)28-20-13-16(24)5-6-17(18)20/h4-7,12-13,18,24H,2-3,8-11,14H2,1H3/p+1/t18-/m1/s1