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

Systemtic Name: 5-methyl-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-methyl-1,3-benzoxazole bromide CAS Name: 5-methyl-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole bromide IUPAC Name: 5-methyl-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-methyl-1,3-benzoxazole bromide Formula: C16H22BrN3O MolecularWeight: 352.26938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)N3CC[N+](CC3)(C)CC=C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)N3CC[N+](CC3)(C)CC=C.[Br-]

InChI

InChI=1S/C16H22N3O.BrH/c1-4-9-19(3)10-7-18(8-11-19)16-17-14-12-13(2)5-6-15(14)20-16;/h4-6,12H,1,7-11H2,2-3H3;1H/q+1;/p-1