5,7-bis(chloranyl)-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazole bromide

Systemtic Name: 5,7-bis(chloranyl)-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)-5,7-dichloro-1,3-benzoxazole bromide CAS Name: 5,7-dichloro-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole bromide IUPAC Name: 5,7-dichloro-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)-5,7-dichloro-1,3-benzoxazole bromide Formula: C15H18BrCl2N3O MolecularWeight: 407.13292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18Cl2N3O.BrH/c1-3-6-20(2)7-4-19(5-8-20)15-18-13-10-11(16)9-12(17)14(13)21-15;/h3,9-10H,1,4-8H2,2H3;1H/q+1;/p-1