butyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium bromide

Systemtic Name: butyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium bromide Openeye Name: butyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide CAS Name: butyl-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium bromide IUPAC Name: butyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium bromide Traditional Name: butyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide Formula: C21H28BrClN2S MolecularWeight: 455.88242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN2S.BrH/c1-4-5-14-24(2,3)15-8-13-23-18-9-6-7-10-20(18)25-21-12-11-17(22)16-19(21)23;/h6-7,9-12,16H,4-5,8,13-15H2,1-3H3;1H/q+1;/p-1