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

Systemtic Name: 3-(4-methoxyphenyl)-5-oxidanyl-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-6,8-bis(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 5-hydroxy-4-keto-3-(4-methoxyphenyl)-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C28H35N2O5+ MolecularWeight: 479.5879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O5/c1-34-20-10-8-19(9-11-20)23-18-35-28-22(17-30-14-6-3-7-15-30)25(31)21(26(32)24(28)27(23)33)16-29-12-4-2-5-13-29/h8-11,18,31-32H,2-7,12-17H2,1H3/p+1