1-[[3-(diethylamino)-2-oxidanyl-propyl]amino]-2,4-dimethyl-thioxanthen-9-one chloride

Systemtic Name: 1-[[3-(diethylamino)-2-oxidanyl-propyl]amino]-2,4-dimethyl-thioxanthen-9-one chloride Openeye Name: 1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-2,4-dimethyl-thioxanthen-9-one chloride CAS Name: 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethyl-9-thioxanthenone chloride IUPAC Name: 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylthioxanthen-9-one chloride Traditional Name: 1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-2,4-dimethyl-thioxanthen-9-one chloride Formula: C22H28ClN2O2S- MolecularWeight: 419.98792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC1=C2C(=C(C=C1C)C)SC3=CC=CC=C3C2=O)O.[Cl-]

Isomeric SMILES

CCN(CC)CC(CNC1=C2C(=C(C=C1C)C)SC3=CC=CC=C3C2=O)O.[Cl-]

InChI

InChI=1S/C22H28N2O2S.ClH/c1-5-24(6-2)13-16(25)12-23-20-14(3)11-15(4)22-19(20)21(26)17-9-7-8-10-18(17)27-22;/h7-11,16,23,25H,5-6,12-13H2,1-4H3;1H/p-1