3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl-trimethyl-azanium iodide

Systemtic Name: 3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl-trimethyl-azanium iodide Openeye Name: 3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl-trimethyl-ammonium iodide CAS Name: 3-(2-chloro-5-oxo-10-phenothiazinyl)propyl-trimethylammonium iodide IUPAC Name: 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium iodide Traditional Name: 3-(2-chloro-5-keto-phenothiazin-10-yl)propyl-trimethyl-ammonium iodide Formula: C18H22ClIN2OS MolecularWeight: 476.80255

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl.[I-]

Isomeric SMILES

C[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl.[I-]

InChI

InChI=1S/C18H22ClN2OS.HI/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)23(22)18-10-9-14(19)13-16(18)20;/h4-5,7-10,13H,6,11-12H2,1-3H3;1H/q+1;/p-1