[(2R)-2-oxidanyl-2-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-propan-2-yl-azanium

Systemtic Name: [(2R)-2-oxidanyl-2-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-2-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-isopropyl-ammonium CAS Name: [(2R)-2-hydroxy-2-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-2-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-2-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-isopropyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-13(2)21-12-19(22)17-8-10-18(11-9-17)23-20-15(4)7-6-14(3)16(20)5/h6-11,13,19,21-22H,12H2,1-5H3/p+1/t19-/m0/s1