3-(3,4-dimethoxyphenyl)-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-6,8-bis(1-piperidin-1-iumylmethyl)-1-benzopyran-5,7-diolate IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C(=C(C(=C3C2=O)[O-])C[NH+]4CCCCC4)[O-])C[NH+]5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C(=C(C(=C3C2=O)[O-])C[NH+]4CCCCC4)[O-])C[NH+]5CCCCC5)OC

InChI

InChI=1S/C29H36N2O6/c1-35-23-10-9-19(15-24(23)36-2)22-18-37-29-21(17-31-13-7-4-8-14-31)26(32)20(27(33)25(29)28(22)34)16-30-11-5-3-6-12-30/h9-10,15,18,32-33H,3-8,11-14,16-17H2,1-2H3