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

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

CCC(CC)[NH2+]C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)[NH2+]C(C)CN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H25N3S.CH4O4S/c1-4-15(5-2)21-14(3)13-22-16-9-6-7-10-17(16)23-18-11-8-12-20-19(18)22;1-5-6(2,3)4/h6-12,14-15,21H,4-5,13H2,1-3H3;1H3,(H,2,3,4)