1-ethyl-2-(ethylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride

Systemtic Name: 1-ethyl-2-(ethylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 1-ethyl-2-(ethylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 1-ethyl-2-(ethylamino)-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 1-ethyl-2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 1-ethyl-2-(ethylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)CC.[Cl-]

Isomeric SMILES

CCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)CC.[Cl-]

InChI

InChI=1S/C16H18N2OS.ClH/c1-4-17-16-18(5-2)13-11-8-6-7-9-12(11)14(19)10(3)15(13)20-16;/h6-9,19H,4-5H2,1-3H3;1H