2-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole bromide

Systemtic Name: 2-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole bromide Openeye Name: 2-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole bromide CAS Name: 2-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1,3-benzoxazole bromide IUPAC Name: 2-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-1,3-benzoxazole bromide Traditional Name: 2-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole bromide Formula: C19H22BrN3O MolecularWeight: 388.30148

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H22N3O.BrH/c1-22(15-16-7-3-2-4-8-16)13-11-21(12-14-22)19-20-17-9-5-6-10-18(17)23-19;/h2-10H,11-15H2,1H3;1H/q+1;/p-1