6,8-bis[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate

Systemtic Name: 6,8-bis[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate Openeye Name: 6,8-bis[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenyl-chromene-5,7-diolate CAS Name: 6,8-bis[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-phenyl-1-benzopyran-5,7-diolate IUPAC Name: 6,8-bis[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenylchromene-5,7-diolate Traditional Name: 6,8-bis[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-2-phenyl-chromene-5,7-diolate Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCCCC5CC)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCCCC5CC)[O-]

InChI

InChI=1S/C31H40N2O4/c1-3-22-14-8-10-16-32(22)19-24-29(35)25(20-33-17-11-9-15-23(33)4-2)31-28(30(24)36)26(34)18-27(37-31)21-12-6-5-7-13-21/h5-7,12-13,18,22-23,35-36H,3-4,8-11,14-17,19-20H2,1-2H3