2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3-benzoxazole bromide

Systemtic Name: 2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3-benzoxazole bromide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3-benzoxazole bromide CAS Name: 2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)-1,3-benzoxazole bromide IUPAC Name: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3-benzoxazole bromide Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3-benzoxazole bromide Formula: C16H19BrF3N3O MolecularWeight: 406.24077

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=CC(=C3)C(F)(F)F)CC=C.[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=CC(=C3)C(F)(F)F)CC=C.[Br-]

InChI

InChI=1S/C16H19F3N3O.BrH/c1-3-8-22(2)9-6-21(7-10-22)15-20-13-11-12(16(17,18)19)4-5-14(13)23-15;/h3-5,11H,1,6-10H2,2H3;1H/q+1;/p-1