4-chloranyl-1-[2-(dibutylamino)ethylamino]-6-methyl-xanthen-9-one hydrochloride

Systemtic Name: 4-chloranyl-1-[2-(dibutylamino)ethylamino]-6-methyl-xanthen-9-one hydrochloride Openeye Name: 4-chloro-1-[2-(dibutylamino)ethylamino]-6-methyl-xanthen-9-one hydrochloride CAS Name: 4-chloro-1-[2-(dibutylamino)ethylamino]-6-methyl-9-xanthenone hydrochloride IUPAC Name: 4-chloro-1-[2-(dibutylamino)ethylamino]-6-methylxanthen-9-one hydrochloride Traditional Name: 4-chloro-1-[2-(dibutylamino)ethylamino]-6-methyl-xanthone hydrochloride Formula: C24H32Cl2N2O2 MolecularWeight: 451.42908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)Cl)OC3=C(C2=O)C=CC(=C3)C.Cl

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)Cl)OC3=C(C2=O)C=CC(=C3)C.Cl

InChI

InChI=1S/C24H31ClN2O2.ClH/c1-4-6-13-27(14-7-5-2)15-12-26-20-11-10-19(25)24-22(20)23(28)18-9-8-17(3)16-21(18)29-24;/h8-11,16,26H,4-7,12-15H2,1-3H3;1H