4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid bromide

Systemtic Name: 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid bromide Openeye Name: 4-[(3-allyl-4-methyl-thiazol-3-ium-2-yl)amino]benzoic acid bromide CAS Name: 4-[(4-methyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]benzoic acid bromide IUPAC Name: 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid bromide Traditional Name: 4-[(3-allyl-4-methyl-thiazol-3-ium-2-yl)amino]benzoic acid bromide Formula: C14H15BrN2O2S MolecularWeight: 355.2501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CC=C)NC2=CC=C(C=C2)C(=O)O.[Br-]

Isomeric SMILES

CC1=CSC(=[N+]1CC=C)NC2=CC=C(C=C2)C(=O)O.[Br-]

InChI

InChI=1S/C14H14N2O2S.BrH/c1-3-8-16-10(2)9-19-14(16)15-12-6-4-11(5-7-12)13(17)18;/h3-7,9H,1,8H2,2H3,(H,17,18);1H