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

Systemtic Name: 5-tert-butyl-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazole bromide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5-tert-butyl-1,3-benzoxazole bromide CAS Name: 5-tert-butyl-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole bromide IUPAC Name: 5-tert-butyl-2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazole bromide Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5-tert-butyl-1,3-benzoxazole bromide Formula: C19H28BrN3O MolecularWeight: 394.34912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)N3CC[N+](CC3)(C)CC=C.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)N3CC[N+](CC3)(C)CC=C.[Br-]

InChI

InChI=1S/C19H28N3O.BrH/c1-6-11-22(5)12-9-21(10-13-22)18-20-16-14-15(19(2,3)4)7-8-17(16)23-18;/h6-8,14H,1,9-13H2,2-5H3;1H/q+1;/p-1