1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol chloride

Systemtic Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol chloride Openeye Name: 1-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol chloride CAS Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol chloride IUPAC Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol chloride Traditional Name: 1-(2,4-ditert-amylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol chloride Formula: C24H42ClNO2 MolecularWeight: 412.04878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO2.ClH/c1-7-23(3,4)19-12-13-22(21(16-19)24(5,6)8-2)27-18-20(26)17-25-14-10-9-11-15-25;/h12-13,16,20,26H,7-11,14-15,17-18H2,1-6H3;1H