3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-8-[(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-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-methyl-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-methylpiperazin-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-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C28H32N2O7 MolecularWeight: 508.56288

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

InChI

InChI=1S/C28H32N2O7/c1-4-17-14-19-25(32)23(18-6-7-21-22(15-18)36-13-12-35-21)27(28(33)34-5-2)37-26(19)20(24(17)31)16-30-10-8-29(3)9-11-30/h6-7,14-15,31H,4-5,8-13,16H2,1-3H3