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

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

Systemtic Name:4-methylbenzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Openeye Name:4-methylbenzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)ammonium
CAS Name:4-methylbenzenesulfonate; trimethyl-[2-(10-pyrido[3,2-b][1,4]benzothiazinyl)propyl]ammonium
IUPAC Name:4-methylbenzenesulfonate; 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 tosylate
Formula: C24H29N3O3S2
MolecularWeight: 471.63536
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3


InChI

InChI=1S/C17H22N3S.C7H8O3S/c1-13(12-20(2,3)4)19-14-8-5-6-9-15(14)21-16-10-7-11-18-17(16)19;1-6-2-4-7(5-3-6)11(8,9)10/h5-11,13H,12H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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