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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H29NO5 MolecularWeight: 435.51216

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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+]5CCCCC5C)[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