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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C29H33NO7 MolecularWeight: 507.57482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCCC(C5)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCCC(C5)C)[O-]

InChI

InChI=1S/C29H33NO7/c1-4-18-13-20-26(32)24(19-8-9-22-23(14-19)36-12-11-35-22)28(29(33)34-5-2)37-27(20)21(25(18)31)16-30-10-6-7-17(3)15-30/h8-9,13-14,17,31H,4-7,10-12,15-16H2,1-3H3