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

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl-[3-(10-pyrido[3,2-b][1,4]benzothiazinyl)propyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium Traditional Name: trimethyl(3-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-].C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3

InChI

InChI=1S/C17H22N3S.C7H8O3S/c1-20(2,3)13-7-12-19-14-8-4-5-9-15(14)21-16-10-6-11-18-17(16)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8-11H,7,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1