6-butyl-3-hexyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide

Systemtic Name: 6-butyl-3-hexyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Openeye Name: 6-butyl-3-hexyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide CAS Name: 6-butyl-3-hexyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide IUPAC Name: 6-butyl-3-hexyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Traditional Name: 6-butyl-3-hexyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-3-ium bromide Formula: C19H29BrN2S MolecularWeight: 397.41596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C2N(CC1)C3=C(S2)C=C(C=C3)CCCC.[Br-]

Isomeric SMILES

CCCCCC[N+]1=C2N(CC1)C3=C(S2)C=C(C=C3)CCCC.[Br-]

InChI

InChI=1S/C19H29N2S.BrH/c1-3-5-7-8-12-20-13-14-21-17-11-10-16(9-6-4-2)15-18(17)22-19(20)21;/h10-11,15H,3-9,12-14H2,1-2H3;1H/q+1;/p-1