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

Systemtic Name: (4S)-7-oxidanyl-4-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Openeye Name: (4S)-7-hydroxy-4-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]chroman-2-one CAS Name: (4S)-7-hydroxy-4-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (4S)-7-hydroxy-4-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Traditional Name: (4S)-7-hydroxy-4-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]chroman-2-one Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)C3CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)[C@@H]3CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H25NO4/c24-17-7-8-19-20(15-22(25)27-21(19)14-17)16-5-4-6-18(13-16)26-12-11-23-9-2-1-3-10-23/h4-8,13-14,20,24H,1-3,9-12,15H2/p+1/t20-/m0/s1