hexyl-[(2R)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium

Systemtic Name: hexyl-[(2R)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: hexyl-[(2R)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: hexyl-[(2R)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium IUPAC Name: hexyl-[(2R)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: [(2R)-3-(4-cumylphenoxy)-2-hydroxy-propyl]-hexyl-ammonium Formula: C24H36NO2+ MolecularWeight: 370.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC[NH2+]C[C@H](COC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O

InChI

InChI=1S/C24H35NO2/c1-4-5-6-10-17-25-18-22(26)19-27-23-15-13-21(14-16-23)24(2,3)20-11-8-7-9-12-20/h7-9,11-16,22,25-26H,4-6,10,17-19H2,1-3H3/p+1/t22-/m1/s1