3-(2-chloranylphenothiazin-10-yl)propyl-(2-methylbutan-2-yl)azanium bromide

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-(2-methylbutan-2-yl)azanium bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-(1,1-dimethylpropyl)ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-(2-methylbutan-2-yl)ammonium bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-(2-methylbutan-2-yl)azanium bromide Traditional Name: tert-amyl-[3-(2-chlorophenothiazin-10-yl)propyl]ammonium bromide Formula: C20H26BrClN2S MolecularWeight: 441.85584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-]

Isomeric SMILES

CCC(C)(C)[NH2+]CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C20H25ClN2S.BrH/c1-4-20(2,3)22-12-7-13-23-16-8-5-6-9-18(16)24-19-11-10-15(21)14-17(19)23;/h5-6,8-11,14,22H,4,7,12-13H2,1-3H3;1H