[(2R)-2-[4-(2,5-dimethylphenoxy)phenyl]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2R)-2-[4-(2,5-dimethylphenoxy)phenyl]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2R)-2-[4-(2,5-dimethylphenoxy)phenyl]-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2R)-2-[4-(2,5-dimethylphenoxy)phenyl]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2R)-2-[4-(2,5-dimethylphenoxy)phenyl]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2R)-2-[4-(2,5-dimethylphenoxy)phenyl]-2-hydroxy-propyl]-isopropyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)C(C)(C[NH2+]C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)[C@](C)(C[NH2+]C(C)C)O

InChI

InChI=1S/C20H27NO2/c1-14(2)21-13-20(5,22)17-8-10-18(11-9-17)23-19-12-15(3)6-7-16(19)4/h6-12,14,21-22H,13H2,1-5H3/p+1/t20-/m0/s1