4,5-bis(diethylaminomethyl)-3,6-dimethoxy-xanthen-9-one hydrochloride

Systemtic Name: 4,5-bis(diethylaminomethyl)-3,6-dimethoxy-xanthen-9-one hydrochloride Openeye Name: 4,5-bis(diethylaminomethyl)-3,6-dimethoxy-xanthen-9-one hydrochloride CAS Name: 4,5-bis(diethylaminomethyl)-3,6-dimethoxy-9-xanthenone hydrochloride IUPAC Name: 4,5-bis(diethylaminomethyl)-3,6-dimethoxyxanthen-9-one hydrochloride Traditional Name: 4,5-bis(diethylaminomethyl)-3,6-dimethoxy-xanthone hydrochloride Formula: C25H35ClN2O4 MolecularWeight: 463.0094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC(=C3CN(CC)CC)OC)OC.Cl

Isomeric SMILES

CCN(CC)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC(=C3CN(CC)CC)OC)OC.Cl

InChI

InChI=1S/C25H34N2O4.ClH/c1-7-26(8-2)15-19-21(29-5)13-11-17-23(28)18-12-14-22(30-6)20(16-27(9-3)10-4)25(18)31-24(17)19;/h11-14H,7-10,15-16H2,1-6H3;1H