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

Systemtic Name: methyl sulfate; pentan-3-yl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium Openeye Name: 1-ethylpropyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)ammonium; methyl sulfate CAS Name: methyl sulfate; pentan-3-yl-[2-(10-pyrido[3,2-b][1,4]benzothiazinyl)ethyl]ammonium IUPAC Name: methyl sulfate; pentan-3-yl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium Traditional Name: 1-ethylpropyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)ammonium; methyl sulfate Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)[NH2+]CCN1C2=CC=CC=C2SC3=C1N=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H23N3S.CH4O4S/c1-3-14(4-2)19-12-13-21-15-8-5-6-9-16(15)22-17-10-7-11-20-18(17)21;1-5-6(2,3)4/h5-11,14,19H,3-4,12-13H2,1-2H3;1H3,(H,2,3,4)