3-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4,5-dimethyl-1,3-thiazol-3-ium dibromide

Systemtic Name: 3-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4,5-dimethyl-1,3-thiazol-3-ium dibromide Openeye Name: 3-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4,5-dimethyl-thiazol-3-ium dibromide CAS Name: 3-[2-(3-butyl-1-imidazol-3-iumyl)ethyl]-4,5-dimethylthiazol-3-ium dibromide IUPAC Name: 3-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4,5-dimethyl-1,3-thiazol-3-ium dibromide Traditional Name: 3-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4,5-dimethyl-thiazol-3-ium dibromide Formula: C14H23Br2N3S MolecularWeight: 425.22552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)CC[N+]2=CSC(=C2C)C.[Br-].[Br-]

Isomeric SMILES

CCCC[N+]1=CN(C=C1)CC[N+]2=CSC(=C2C)C.[Br-].[Br-]

InChI

InChI=1S/C14H23N3S.2BrH/c1-4-5-6-15-7-8-16(11-15)9-10-17-12-18-14(3)13(17)2;;/h7-8,11-12H,4-6,9-10H2,1-3H3;2*1H/q+2;;/p-2