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

Systemtic Name: (4S)-7-oxidanyl-4-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Openeye Name: (4S)-7-hydroxy-4-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]chroman-2-one CAS Name: (4S)-7-hydroxy-4-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (4S)-7-hydroxy-4-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Traditional Name: (4S)-7-hydroxy-4-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]chroman-2-one Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2C3CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2[C@@H]3CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H23NO4/c23-15-7-8-17-18(14-21(24)26-20(17)13-15)16-5-1-2-6-19(16)25-12-11-22-9-3-4-10-22/h1-2,5-8,13,18,23H,3-4,9-12,14H2/p+1/t18-/m0/s1