3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-phenacyl-azanium bromide

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-phenacyl-azanium bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-phenacyl-ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-phenacylammonium bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-phenacylazanium bromide Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-phenacyl-ammonium bromide Formula: C25H26BrClN2OS MolecularWeight: 517.90874

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H26ClN2OS.BrH/c1-28(2,18-23(29)19-9-4-3-5-10-19)16-8-15-27-21-11-6-7-12-24(21)30-25-14-13-20(26)17-22(25)27;/h3-7,9-14,17H,8,15-16,18H2,1-2H3;1H/q+1;/p-1