2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol iodide

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol iodide Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol iodide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1-piperazin-1-iumyl]ethanol iodide IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methylpiperazin-1-ium-1-yl]ethanol iodide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol iodide Formula: C14H20IN3O2 MolecularWeight: 389.23197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N3O2.HI/c1-17(10-11-18)8-6-16(7-9-17)14-15-12-4-2-3-5-13(12)19-14;/h2-5,18H,6-11H2,1H3;1H/q+1;/p-1