ethyl-(2-hydroxyethyl)-[2-[(4-methyl-9-oxidanylidene-thioxanthen-1-yl)amino]ethyl]azanium chloride

Systemtic Name: ethyl-(2-hydroxyethyl)-[2-[(4-methyl-9-oxidanylidene-thioxanthen-1-yl)amino]ethyl]azanium chloride Openeye Name: ethyl-(2-hydroxyethyl)-[2-[(4-methyl-9-oxo-thioxanthen-1-yl)amino]ethyl]ammonium chloride CAS Name: ethyl-(2-hydroxyethyl)-[2-[(4-methyl-9-oxo-1-thioxanthenyl)amino]ethyl]ammonium chloride IUPAC Name: ethyl-(2-hydroxyethyl)-[2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethyl]azanium chloride Traditional Name: ethyl-(2-hydroxyethyl)-[2-[(9-keto-4-methyl-thioxanthen-1-yl)amino]ethyl]ammonium chloride Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO.[Cl-]

Isomeric SMILES

CC[NH+](CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO.[Cl-]

InChI

InChI=1S/C20H24N2O2S.ClH/c1-3-22(12-13-23)11-10-21-16-9-8-14(2)20-18(16)19(24)15-6-4-5-7-17(15)25-20;/h4-9,21,23H,3,10-13H2,1-2H3;1H