methyl sulfate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium

Systemtic Name: methyl sulfate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium Openeye Name: methyl sulfate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)ammonium CAS Name: methyl sulfate; trimethyl-[2-(10-pyrido[3,2-b][1,4]benzothiazinyl)ethyl]ammonium IUPAC Name: methyl sulfate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium Traditional Name: methyl sulfate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)ammonium Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H20N3S.CH4O4S/c1-19(2,3)12-11-18-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)18;1-5-6(2,3)4/h4-10H,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1