3-(6-chloranyl-3-phenyl-1,4-benzothiazin-4-yl)propyl-trimethyl-azanium bromide

Systemtic Name: 3-(6-chloranyl-3-phenyl-1,4-benzothiazin-4-yl)propyl-trimethyl-azanium bromide Openeye Name: 3-(6-chloro-3-phenyl-1,4-benzothiazin-4-yl)propyl-trimethyl-ammonium bromide CAS Name: 3-(6-chloro-3-phenyl-1,4-benzothiazin-4-yl)propyl-trimethylammonium bromide IUPAC Name: 3-(6-chloro-3-phenyl-1,4-benzothiazin-4-yl)propyl-trimethylazanium bromide Traditional Name: 3-(6-chloro-3-phenyl-1,4-benzothiazin-4-yl)propyl-trimethyl-ammonium bromide Formula: C20H24BrClN2S MolecularWeight: 439.83996

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C2=C(C=CC(=C2)Cl)SC=C1C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCN1C2=C(C=CC(=C2)Cl)SC=C1C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H24ClN2S.BrH/c1-23(2,3)13-7-12-22-18-14-17(21)10-11-20(18)24-15-19(22)16-8-5-4-6-9-16;/h4-6,8-11,14-15H,7,12-13H2,1-3H3;1H/q+1;/p-1