diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium; methyl sulfate

Systemtic Name: diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium; methyl sulfate Openeye Name: diethyl-methyl-(1-methyl-2-pyrido[3,2-b][1,4]benzothiazin-10-yl-ethyl)ammonium; methyl sulfate CAS Name: diethyl-methyl-[1-(10-pyrido[3,2-b][1,4]benzothiazinyl)propan-2-yl]ammonium; methyl sulfate IUPAC Name: diethyl-methyl-(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium; methyl sulfate Traditional Name: diethyl-methyl-(1-methyl-2-pyrido[3,2-b][1,4]benzothiazin-10-yl-ethyl)ammonium; methyl sulfate Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H26N3S.CH4O4S/c1-5-22(4,6-2)15(3)14-21-16-10-7-8-11-17(16)23-18-12-9-13-20-19(18)21;1-5-6(2,3)4/h7-13,15H,5-6,14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1