2-(3-chloranyl-2-oxidanyl-propoxy)-3,4-dimethyl-thioxanthen-9-one; trimethylazanium

Systemtic Name: 2-(3-chloranyl-2-oxidanyl-propoxy)-3,4-dimethyl-thioxanthen-9-one; trimethylazanium Openeye Name: 2-(3-chloro-2-hydroxy-propoxy)-3,4-dimethyl-thioxanthen-9-one; trimethylammonium CAS Name: 2-(3-chloro-2-hydroxypropoxy)-3,4-dimethyl-9-thioxanthenone; trimethylammonium IUPAC Name: 2-(3-chloro-2-hydroxypropoxy)-3,4-dimethylthioxanthen-9-one; trimethylazanium Traditional Name: 2-(3-chloro-2-hydroxy-propoxy)-3,4-dimethyl-thioxanthen-9-one; trimethylammonium Formula: C21H27ClNO3S+ MolecularWeight: 408.96198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(CCl)O.C[NH+](C)C

Isomeric SMILES

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(CCl)O.C[NH+](C)C

InChI

InChI=1S/C18H17ClO3S.C3H9N/c1-10-11(2)18-14(7-15(10)22-9-12(20)8-19)17(21)13-5-3-4-6-16(13)23-18;1-4(2)3/h3-7,12,20H,8-9H2,1-2H3;1-3H3/p+1