1-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]propan-2-one bromide

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]propan-2-one bromide Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]propan-2-one bromide CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-methyl-1-piperazin-1-iumyl]-2-propanone bromide IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)-1-methylpiperazin-1-ium-1-yl]propan-2-one bromide Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]acetone bromide Formula: C15H20BrN3O2 MolecularWeight: 354.2422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C.[Br-]

Isomeric SMILES

CC(=O)C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C.[Br-]

InChI

InChI=1S/C15H20N3O2.BrH/c1-12(19)11-18(2)9-7-17(8-10-18)15-16-13-5-3-4-6-14(13)20-15;/h3-6H,7-11H2,1-2H3;1H/q+1;/p-1