(2S)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-2,3-dihydrochromen-4-one

Systemtic Name: (2S)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-2,3-dihydrochromen-4-one Openeye Name: (2S)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]chroman-4-one CAS Name: (2S)-2-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-2,3-dihydrochromen-4-one Traditional Name: (2S)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]chroman-4-one Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3=CC=CC=C3O2)C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=CC=CC=C3O2)C[NH+]4CCOCC4

InChI

InChI=1S/C21H23NO4/c1-24-19-7-6-15(12-16(19)14-22-8-10-25-11-9-22)21-13-18(23)17-4-2-3-5-20(17)26-21/h2-7,12,21H,8-11,13-14H2,1H3/p+1/t21-/m0/s1