2-(4-cyclopentyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide

Systemtic Name: 2-(4-cyclopentyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide Openeye Name: 2-(4-cyclopentyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide CAS Name: 2-(4-cyclopentyl-4-methyl-1-piperazin-4-iumyl)-1,3-benzoxazole iodide IUPAC Name: 2-(4-cyclopentyl-4-methylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide Traditional Name: 2-(4-cyclopentyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide Formula: C17H24IN3O MolecularWeight: 413.29643

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C4CCCC4.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C4CCCC4.[I-]

InChI

InChI=1S/C17H24N3O.HI/c1-20(14-6-2-3-7-14)12-10-19(11-13-20)17-18-15-8-4-5-9-16(15)21-17;/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3;1H/q+1;/p-1