[(2R)-2-oxidanyl-3-(3-propan-2-ylphenoxy)propyl]-phenethyl-azanium

Systemtic Name: [(2R)-2-oxidanyl-3-(3-propan-2-ylphenoxy)propyl]-phenethyl-azanium Openeye Name: [(2R)-2-hydroxy-3-(3-isopropylphenoxy)propyl]-phenethyl-ammonium CAS Name: [(2R)-2-hydroxy-3-(3-propan-2-ylphenoxy)propyl]-phenethylammonium IUPAC Name: [(2R)-2-hydroxy-3-(3-propan-2-ylphenoxy)propyl]-phenethylazanium Traditional Name: [(2R)-2-hydroxy-3-(3-isopropylphenoxy)propyl]-phenethyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC(C[NH2+]CCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC[C@@H](C[NH2+]CCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO2/c1-16(2)18-9-6-10-20(13-18)23-15-19(22)14-21-12-11-17-7-4-3-5-8-17/h3-10,13,16,19,21-22H,11-12,14-15H2,1-2H3/p+1/t19-/m1/s1