6-methyl-3-prop-2-ynyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide

Systemtic Name: 6-methyl-3-prop-2-ynyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Openeye Name: 6-methyl-3-prop-2-ynyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide CAS Name: 6-methyl-3-prop-2-ynyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide IUPAC Name: 6-methyl-3-prop-2-ynyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Traditional Name: 6-methyl-3-propargyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Formula: C13H13BrN2S MolecularWeight: 309.22472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N3CC[N+](=C3S2)CC#C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)N3CC[N+](=C3S2)CC#C.[Br-]

InChI

InChI=1S/C13H13N2S.BrH/c1-3-6-14-7-8-15-11-5-4-10(2)9-12(11)16-13(14)15;/h1,4-5,9H,6-8H2,2H3;1H/q+1;/p-1