cyclohexyl-dimethyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium bromide

Systemtic Name: cyclohexyl-dimethyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium bromide Openeye Name: cyclohexyl-dimethyl-(1-methyl-2-pyrido[3,2-b][1,4]benzothiazin-10-yl-ethyl)ammonium bromide CAS Name: cyclohexyl-dimethyl-[1-(10-pyrido[3,2-b][1,4]benzothiazinyl)propan-2-yl]ammonium bromide IUPAC Name: cyclohexyl-dimethyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium bromide Traditional Name: cyclohexyl-dimethyl-(1-methyl-2-pyrido[3,2-b][1,4]benzothiazin-10-yl-ethyl)ammonium bromide Formula: C22H30BrN3S MolecularWeight: 448.4627

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)[N+](C)(C)C4CCCCC4.[Br-]

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)[N+](C)(C)C4CCCCC4.[Br-]

InChI

InChI=1S/C22H30N3S.BrH/c1-17(25(2,3)18-10-5-4-6-11-18)16-24-19-12-7-8-13-20(19)26-21-14-9-15-23-22(21)24;/h7-9,12-15,17-18H,4-6,10-11,16H2,1-3H3;1H/q+1;/p-1