1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride

Systemtic Name: 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride Openeye Name: 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride CAS Name: 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride IUPAC Name: 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride Traditional Name: 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride Formula: C25H37ClN2O4 MolecularWeight: 465.02528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCCCCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC.[Cl-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCCCCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC.[Cl-]

InChI

InChI=1S/C25H36N2O4.ClH/c1-28-22-12-7-6-11-21(22)27-18-16-26(17-19-27)15-8-4-5-9-20-31-25-23(29-2)13-10-14-24(25)30-3;/h6-7,10-14H,4-5,8-9,15-20H2,1-3H3;1H