2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium bromide

Systemtic Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium bromide Openeye Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium bromide CAS Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium bromide Traditional Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium bromide Formula: C15H20BrNO2S MolecularWeight: 358.2938

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=C(C)OCC.[Br-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C(\C)/OCC.[Br-]

InChI

InChI=1S/C15H20NO2S.BrH/c1-5-16-13-10-12(17-4)7-8-14(13)19-15(16)9-11(3)18-6-2;/h7-10H,5-6H2,1-4H3;1H/q+1;/p-1/b11-9+;