2-(3-chloranylphenoxy)-1-ethyl-1-pentyl-piperidin-1-ium-3-ol chloride

Systemtic Name: 2-(3-chloranylphenoxy)-1-ethyl-1-pentyl-piperidin-1-ium-3-ol chloride Openeye Name: 2-(3-chlorophenoxy)-1-ethyl-1-pentyl-piperidin-1-ium-3-ol chloride CAS Name: 2-(3-chlorophenoxy)-1-ethyl-1-pentyl-3-piperidin-1-iumol chloride IUPAC Name: 2-(3-chlorophenoxy)-1-ethyl-1-pentylpiperidin-1-ium-3-ol chloride Traditional Name: 1-amyl-2-(3-chlorophenoxy)-1-ethyl-piperidin-1-ium-3-ol chloride Formula: C18H29Cl2NO2 MolecularWeight: 362.33436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCCC(C1OC2=CC(=CC=C2)Cl)O)CC.[Cl-]

Isomeric SMILES

CCCCC[N+]1(CCCC(C1OC2=CC(=CC=C2)Cl)O)CC.[Cl-]

InChI

InChI=1S/C18H29ClNO2.ClH/c1-3-5-6-12-20(4-2)13-8-11-17(21)18(20)22-16-10-7-9-15(19)14-16;/h7,9-10,14,17-18,21H,3-6,8,11-13H2,1-2H3;1H/q+1;/p-1