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

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-(diphenylmethyl)-dimethyl-azanium bromide Openeye Name: benzhydryl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-(diphenylmethyl)-dimethylammonium bromide IUPAC Name: benzhydryl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium bromide Traditional Name: benzhydryl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide Formula: C30H30BrClN2S MolecularWeight: 565.9946

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H30ClN2S.BrH/c1-33(2,30(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-11-20-32-26-16-9-10-17-28(26)34-29-19-18-25(31)22-27(29)32;/h3-10,12-19,22,30H,11,20-21H2,1-2H3;1H/q+1;/p-1