[3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-diethyl-azanium chloride

Systemtic Name: [3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-diethyl-azanium chloride Openeye Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-diethyl-ammonium chloride CAS Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-diethylammonium chloride IUPAC Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-diethylazanium chloride Traditional Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-diethyl-ammonium chloride Formula: C23H36ClNO2 MolecularWeight: 393.99044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O.[Cl-]

InChI

InChI=1S/C23H35NO2.ClH/c1-3-24(4-2)15-21(25)16-26-22-7-5-20(6-8-22)23-12-17-9-18(13-23)11-19(10-17)14-23;/h5-8,17-19,21,25H,3-4,9-16H2,1-2H3;1H