1-(2-chloranyl-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one hydrate hydrobromide

Systemtic Name: 1-(2-chloranyl-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one hydrate hydrobromide Openeye Name: 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one hydrate hydrobromide CAS Name: 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)-1-propanone hydrate hydrobromide IUPAC Name: 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one hydrate hydrobromide Traditional Name: 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one hydrate hydrobromide Formula: C18H21BrClNO2S MolecularWeight: 430.78684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.O.Br

Isomeric SMILES

CN(C)CCC(=O)C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.O.Br

InChI

InChI=1S/C18H18ClNOS.BrH.H2O/c1-20(2)10-9-15(21)18-13-5-3-4-6-16(13)22-17-8-7-12(19)11-14(17)18;;/h3-8,11,18H,9-10H2,1-2H3;1H;1H2