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

Systemtic Name: 1-[[3-(diethylamino)-2-oxidanyl-propyl]amino]-4-methyl-thioxanthen-9-one chloride Openeye Name: 1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-4-methyl-thioxanthen-9-one chloride CAS Name: 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-methyl-9-thioxanthenone chloride IUPAC Name: 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-methylthioxanthen-9-one chloride Traditional Name: 1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-4-methyl-thioxanthen-9-one chloride Formula: C21H26ClN2O2S- MolecularWeight: 405.96134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)O.[Cl-]

Isomeric SMILES

CCN(CC)CC(CNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)O.[Cl-]

InChI

InChI=1S/C21H26N2O2S.ClH/c1-4-23(5-2)13-15(24)12-22-17-11-10-14(3)21-19(17)20(25)16-8-6-7-9-18(16)26-21;/h6-11,15,22,24H,4-5,12-13H2,1-3H3;1H/p-1