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

Systemtic Name: 1-[4-(2,6-dimethoxyphenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride Openeye Name: 1-[4-(2,6-dimethoxyphenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride CAS Name: 1-[4-(2,6-dimethoxyphenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride IUPAC Name: 1-[4-(2,6-dimethoxyphenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride Traditional Name: 1-[4-(2,6-dimethoxyphenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium chloride Formula: C23H33ClN2O4 MolecularWeight: 436.97212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4.ClH/c1-26-20-10-5-4-9-19(20)25-16-14-24(15-17-25)13-6-7-18-29-23-21(27-2)11-8-12-22(23)28-3;/h4-5,8-12H,6-7,13-18H2,1-3H3;1H