1-[[2-(3-methoxy-6-oxidanylidene-xanthen-9-yl)phenyl]-oxidanyl-methylidene]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[2-(3-methoxy-6-oxidanylidene-xanthen-9-yl)phenyl]-oxidanyl-methylidene]piperidin-1-ium-4-carboxylate Openeye Name: 1-[hydroxy-[2-(3-methoxy-6-oxo-xanthen-9-yl)phenyl]methylene]piperidin-1-ium-4-carboxylate CAS Name: 1-[hydroxy-[2-(3-methoxy-6-oxo-9-xanthenyl)phenyl]methylidene]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[hydroxy-[2-(3-methoxy-6-oxoxanthen-9-yl)phenyl]methylidene]piperidin-1-ium-4-carboxylate Traditional Name: 1-[hydroxy-[2-(3-keto-6-methoxy-xanthen-9-yl)phenyl]methylene]piperidin-1-ium-4-carboxylate Formula: C27H23NO6 MolecularWeight: 457.47462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC=CC=C4C(=[N+]5CCC(CC5)C(=O)[O-])O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC=CC=C4C(=[N+]5CCC(CC5)C(=O)[O-])O

InChI

InChI=1S/C27H23NO6/c1-33-18-7-9-22-24(15-18)34-23-14-17(29)6-8-21(23)25(22)19-4-2-3-5-20(19)26(30)28-12-10-16(11-13-28)27(31)32/h2-9,14-16H,10-13H2,1H3,(H,31,32)