3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethyl-azanium iodide Openeye Name: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethyl-ammonium iodide CAS Name: 3-[7-azido-2-(trifluoromethyl)-10-phenothiazinyl]propyl-trimethylammonium iodide IUPAC Name: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethylazanium iodide Traditional Name: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethyl-ammonium iodide Formula: C19H21F3IN5S MolecularWeight: 535.36822

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C2=C(C=C(C=C2)N=[N+]=[N-])SC3=C1C=C(C=C3)C(F)(F)F.[I-]

Isomeric SMILES

C[N+](C)(C)CCCN1C2=C(C=C(C=C2)N=[N+]=[N-])SC3=C1C=C(C=C3)C(F)(F)F.[I-]

InChI

InChI=1S/C19H21F3N5S.HI/c1-27(2,3)10-4-9-26-15-7-6-14(24-25-23)12-18(15)28-17-8-5-13(11-16(17)26)19(20,21)22;/h5-8,11-12H,4,9-10H2,1-3H3;1H/q+1;/p-1