8-chloranyl-5-ethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium; ethyl sulfate

Systemtic Name: 8-chloranyl-5-ethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium; ethyl sulfate Openeye Name: 8-chloro-5-ethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium; ethyl sulfate CAS Name: 8-chloro-5-ethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium; ethyl sulfate IUPAC Name: 8-chloro-5-ethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium; ethyl sulfate Traditional Name: 8-chloro-5-ethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium; ethyl sulfate Formula: C19H19ClN2O4S2 MolecularWeight: 438.94816

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC2=C(C3=CC=CC=C31)NC4=C(S2)C(=CC=C4)Cl.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC2=C(C3=CC=CC=C31)NC4=C(S2)C(=CC=C4)Cl.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C17H13ClN2S.C2H6O4S/c1-2-20-10-15-16(11-6-3-4-9-14(11)20)19-13-8-5-7-12(18)17(13)21-15;1-2-6-7(3,4)5/h3-10H,2H2,1H3;2H2,1H3,(H,3,4,5)