4,5-dimethyl-3-prop-2-enyl-1,3-thiazol-3-ium bromide

Systemtic Name: 4,5-dimethyl-3-prop-2-enyl-1,3-thiazol-3-ium bromide Openeye Name: 3-allyl-4,5-dimethyl-thiazol-3-ium bromide CAS Name: 4,5-dimethyl-3-prop-2-enylthiazol-3-ium bromide IUPAC Name: 4,5-dimethyl-3-prop-2-enyl-1,3-thiazol-3-ium bromide Traditional Name: 3-allyl-4,5-dimethyl-thiazol-3-ium bromide Formula: C8H12BrNS MolecularWeight: 234.15658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC=C)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC=C)C.[Br-]

InChI

InChI=1S/C8H12NS.BrH/c1-4-5-9-6-10-8(3)7(9)2;/h4,6H,1,5H2,2-3H3;1H/q+1;/p-1