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

Systemtic Name: (4S)-7-oxidanyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Openeye Name: (4S)-7-hydroxy-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]chroman-2-one CAS Name: (4S)-7-hydroxy-4-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (4S)-7-hydroxy-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Traditional Name: (4S)-7-hydroxy-4-[4-(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=C(C=C2)C3CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c23-16-5-8-18-19(14-21(24)26-20(18)13-16)15-3-6-17(7-4-15)25-12-11-22-9-1-2-10-22/h3-8,13,19,23H,1-2,9-12,14H2/p+1/t19-/m0/s1