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

Systemtic Name: dimethyl-[2-oxidanyl-3-(9-oxidanylidenethioxanthen-2-yl)oxy-propyl]azanium Openeye Name: [2-hydroxy-3-(9-oxothioxanthen-2-yl)oxy-propyl]-dimethyl-ammonium CAS Name: [2-hydroxy-3-[(9-oxo-2-thioxanthenyl)oxy]propyl]-dimethylammonium IUPAC Name: [2-hydroxy-3-(9-oxothioxanthen-2-yl)oxypropyl]-dimethylazanium Traditional Name: [2-hydroxy-3-(9-ketothioxanthen-2-yl)oxy-propyl]-dimethyl-ammonium Formula: C18H20NO3S+ MolecularWeight: 330.4213

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O)O

Isomeric SMILES

C[NH+](C)CC(COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C18H19NO3S/c1-19(2)10-12(20)11-22-13-7-8-17-15(9-13)18(21)14-5-3-4-6-16(14)23-17/h3-9,12,20H,10-11H2,1-2H3/p+1