6,8-bis[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate

Systemtic Name: 6,8-bis[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate Openeye Name: 6,8-bis[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenyl-chromene-5,7-diolate CAS Name: 6,8-bis[(3,3-dimethyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-phenyl-1-benzopyran-5,7-diolate IUPAC Name: 6,8-bis[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenylchromene-5,7-diolate Traditional Name: 6,8-bis[(3,3-dimethylpiperidin-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:

CC1(CCC[NH+](C1)CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCCC(C5)(C)C)[O-])C

Isomeric SMILES

CC1(CCC[NH+](C1)CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCCC(C5)(C)C)[O-])C

InChI

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