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

Systemtic Name: 3,6-dimethoxy-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one hydrochloride Openeye Name: 3,6-dimethoxy-4,5-bis(1-piperidylmethyl)xanthen-9-one hydrochloride CAS Name: 3,6-dimethoxy-4,5-bis(1-piperidinylmethyl)-9-xanthenone hydrochloride IUPAC Name: 3,6-dimethoxy-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one hydrochloride Traditional Name: 3,6-dimethoxy-4,5-bis(piperidinomethyl)xanthone hydrochloride Formula: C27H35ClN2O4 MolecularWeight: 487.0308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=C(C=C3)OC)CN4CCCCC4)CN5CCCCC5.Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=C(C=C3)OC)CN4CCCCC4)CN5CCCCC5.Cl

InChI

InChI=1S/C27H34N2O4.ClH/c1-31-23-11-9-19-25(30)20-10-12-24(32-2)22(18-29-15-7-4-8-16-29)27(20)33-26(19)21(23)17-28-13-5-3-6-14-28;/h9-12H,3-8,13-18H2,1-2H3;1H