dimethyl-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)azanium chloride hydrate

Systemtic Name: dimethyl-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)azanium chloride hydrate Openeye Name: dimethyl-(3-oxo-3-phenothiazin-10-yl-propyl)ammonium chloride hydrate CAS Name: dimethyl-[3-oxo-3-(10-phenothiazinyl)propyl]ammonium chloride hydrate IUPAC Name: dimethyl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium chloride hydrate Traditional Name: (3-keto-3-phenothiazin-10-yl-propyl)-dimethyl-ammonium chloride hydrate Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.O.[Cl-]

Isomeric SMILES

C[NH+](C)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.O.[Cl-]

InChI

InChI=1S/C17H18N2OS.ClH.H2O/c1-18(2)12-11-17(20)19-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)19;;/h3-10H,11-12H2,1-2H3;1H;1H2