3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C26H30NO5+ MolecularWeight: 436.5201

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCCCC5C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCCC[C@H]5C)O

InChI

InChI=1S/C26H29NO5/c1-3-17-12-19-25(29)21(18-7-8-22-23(13-18)31-11-10-30-22)15-32-26(19)20(24(17)28)14-27-9-5-4-6-16(27)2/h7-8,12-13,15-16,28H,3-6,9-11,14H2,1-2H3/p+1/t16-/m1/s1