3-(4-methoxyphenyl)-6,8-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromene-5,7-diolate

Systemtic Name: 3-(4-methoxyphenyl)-6,8-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromene-5,7-diolate Openeye Name: 3-(4-methoxyphenyl)-6,8-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromene-5,7-diolate CAS Name: 3-(4-methoxyphenyl)-6,8-bis[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-5,7-diolate IUPAC Name: 3-(4-methoxyphenyl)-6,8-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromene-5,7-diolate Traditional Name: 4-keto-3-(4-methoxyphenyl)-6,8-bis[(3-methylpiperidin-1-ium-1-yl)methyl]chromene-5,7-diolate Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2[O-])C(=O)C(=CO3)C4=CC=C(C=C4)OC)C[NH+]5CCCC(C5)C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2[O-])C(=O)C(=CO3)C4=CC=C(C=C4)OC)C[NH+]5CCCC(C5)C)[O-]

InChI

InChI=1S/C30H38N2O5/c1-19-6-4-12-31(14-19)16-23-27(33)24(17-32-13-5-7-20(2)15-32)30-26(28(23)34)29(35)25(18-37-30)21-8-10-22(36-3)11-9-21/h8-11,18-20,33-34H,4-7,12-17H2,1-3H3