1-(2-dimethylaminoethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one hydroiodide

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one hydroiodide Openeye Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one hydroiodide CAS Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-9-thioxanthenone hydroiodide IUPAC Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methylthioxanthen-9-one hydroiodide Traditional Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one hydroiodide Formula: C18H21IN2O2S MolecularWeight: 456.34101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C=CC(=C3)O.I

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C=CC(=C3)O.I

InChI

InChI=1S/C18H20N2O2S.HI/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16;/h4-7,10,19,21H,8-9H2,1-3H3;1H