3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate CAS Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-6,8-bis(1-piperidin-1-iumylmethyl)-1-benzopyran-5,7-diolate IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-methyl-6,8-bis(piperidin-1-ium-1-ylmethyl)chromene-5,7-diolate Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C(=C(C(=C2O1)C[NH+]3CCCCC3)[O-])C[NH+]4CCCCC4)[O-])C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(C(=C(C(=C2O1)C[NH+]3CCCCC3)[O-])C[NH+]4CCCCC4)[O-])C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H36N2O5/c1-19-24(20-9-11-21(35-2)12-10-20)28(34)25-27(33)22(17-30-13-5-3-6-14-30)26(32)23(29(25)36-19)18-31-15-7-4-8-16-31/h9-12,32-33H,3-8,13-18H2,1-2H3