benzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium

Systemtic Name: benzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium Openeye Name: benzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)ammonium CAS Name: benzenesulfonate; trimethyl-[2-(10-pyrido[3,2-b][1,4]benzothiazinyl)propyl]ammonium IUPAC Name: benzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium Traditional Name: trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)ammonium besylate Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H22N3S.C6H6O3S/c1-13(12-20(2,3)4)19-14-8-5-6-9-15(14)21-16-10-7-11-18-17(16)19;7-10(8,9)6-4-2-1-3-5-6/h5-11,13H,12H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1