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

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethyl-azanium Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethyl-ammonium CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-[(2,2-dimethyl-1-oxopropoxy)methyl]-dimethylammonium IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-(2,2-dimethylpropanoyloxymethyl)-dimethylazanium Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(pivaloyloxymethyl)ammonium Formula: C23H30ClN2O2S+ MolecularWeight: 434.0145

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN2O2S/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/q+1