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

Systemtic Name: 2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazole chloride Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole chloride CAS Name: 2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole chloride IUPAC Name: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazole chloride Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole chloride Formula: C15H20ClN3O MolecularWeight: 293.7918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N3O.ClH/c1-3-10-18(2)11-8-17(9-12-18)15-16-13-6-4-5-7-14(13)19-15;/h3-7H,1,8-12H2,2H3;1H/q+1;/p-1