3-(3,4-dimethoxyphenyl)-5-oxidanyl-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-oxidanyl-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-6,8-bis(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-5-hydroxy-4-keto-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C29H37N2O6+ MolecularWeight: 509.61388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3C[NH+]4CCCCC4)[O-])C[NH+]5CCCCC5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3C[NH+]4CCCCC4)[O-])C[NH+]5CCCCC5)O)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/p+1