3,6-bis(oxidanyl)-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one

Systemtic Name: 3,6-bis(oxidanyl)-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one Openeye Name: 3,6-dihydroxy-4,5-bis(1-piperidylmethyl)xanthen-9-one CAS Name: 3,6-dihydroxy-4,5-bis(1-piperidinylmethyl)-9-xanthenone IUPAC Name: 3,6-dihydroxy-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one Traditional Name: 3,6-dihydroxy-4,5-bis(piperidinomethyl)xanthone Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2OC4=C(C3=O)C=CC(=C4CN5CCCCC5)O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2OC4=C(C3=O)C=CC(=C4CN5CCCCC5)O)O

InChI

InChI=1S/C25H30N2O4/c28-21-9-7-17-23(30)18-8-10-22(29)20(16-27-13-5-2-6-14-27)25(18)31-24(17)19(21)15-26-11-3-1-4-12-26/h7-10,28-29H,1-6,11-16H2