3-prop-2-ynyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide

Systemtic Name: 3-prop-2-ynyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Openeye Name: 3-prop-2-ynyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide CAS Name: 3-prop-2-ynyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide IUPAC Name: 3-prop-2-ynyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Traditional Name: 3-propargyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Formula: C12H13BrN2S MolecularWeight: 297.21402

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C2N(C=C1)C3=C(S2)CCCC3.[Br-]

Isomeric SMILES

C#CC[N+]1=C2N(C=C1)C3=C(S2)CCCC3.[Br-]

InChI

InChI=1S/C12H13N2S.BrH/c1-2-7-13-8-9-14-10-5-3-4-6-11(10)15-12(13)14;/h1,8-9H,3-7H2;1H/q+1;/p-1