trimethyl-[2-oxidanyl-3-(9-oxidanylidenethioxanthen-3-yl)oxy-propyl]azanium hydrochloride

Systemtic Name: trimethyl-[2-oxidanyl-3-(9-oxidanylidenethioxanthen-3-yl)oxy-propyl]azanium hydrochloride Openeye Name: [2-hydroxy-3-(9-oxothioxanthen-3-yl)oxy-propyl]-trimethyl-ammonium hydrochloride CAS Name: [2-hydroxy-3-[(9-oxo-3-thioxanthenyl)oxy]propyl]-trimethylammonium hydrochloride IUPAC Name: [2-hydroxy-3-(9-oxothioxanthen-3-yl)oxypropyl]-trimethylazanium hydrochloride Traditional Name: [2-hydroxy-3-(9-ketothioxanthen-3-yl)oxy-propyl]-trimethyl-ammonium hydrochloride Formula: C19H23ClNO3S+ MolecularWeight: 380.90882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2)O.Cl

Isomeric SMILES

C[N+](C)(C)CC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2)O.Cl

InChI

InChI=1S/C19H22NO3S.ClH/c1-20(2,3)11-13(21)12-23-14-8-9-16-18(10-14)24-17-7-5-4-6-15(17)19(16)22;/h4-10,13,21H,11-12H2,1-3H3;1H/q+1;