3-(2-chloranylphenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethyl-azanium chloride

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethyl-azanium chloride Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethyl-ammonium chloride CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-[(2,2-dimethyl-1-oxopropoxy)methyl]-dimethylammonium chloride IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethylazanium chloride Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(pivaloyloxymethyl)ammonium chloride Formula: C23H30Cl2N2O2S MolecularWeight: 469.4675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CC(C)(C)C(=O)OC[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C23H30ClN2O2S.ClH/c1-23(2,3)22(27)28-16-26(4,5)14-8-13-25-18-9-6-7-10-20(18)29-21-12-11-17(24)15-19(21)25;/h6-7,9-12,15H,8,13-14,16H2,1-5H3;1H/q+1;/p-1