1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol chloride

Systemtic Name: 1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol chloride Openeye Name: 1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol chloride CAS Name: 1-(1-piperidin-1-iumyl)-3-(2,4,6-trimethylphenoxy)-2-propanol chloride IUPAC Name: 1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol chloride Traditional Name: 1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol chloride Formula: C17H28ClNO2 MolecularWeight: 313.86272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(C[NH+]2CCCCC2)O)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(C[NH+]2CCCCC2)O)C.[Cl-]

InChI

InChI=1S/C17H27NO2.ClH/c1-13-9-14(2)17(15(3)10-13)20-12-16(19)11-18-7-5-4-6-8-18;/h9-10,16,19H,4-8,11-12H2,1-3H3;1H