3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-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-[[4-(2-hydroxyethyl)piperazin-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-[[4-(2-hydroxyethyl)piperazin-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-[[4-(2-hydroxyethyl)-1-piperazin-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-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-chromen-7-olate Formula: C29H34N2O8 MolecularWeight: 538.58886

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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+]5CCN(CC5)CCO)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCN(CC5)CCO)[O-]

InChI

InChI=1S/C29H34N2O8/c1-3-18-15-20-26(34)24(19-5-6-22-23(16-19)38-14-13-37-22)28(29(35)36-4-2)39-27(20)21(25(18)33)17-31-9-7-30(8-10-31)11-12-32/h5-6,15-16,32-33H,3-4,7-14,17H2,1-2H3