[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-di(propan-2-yl)azanium

Systemtic Name: [(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-di(propan-2-yl)azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-diisopropyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-di(propan-2-yl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-di(propan-2-yl)azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-diisopropyl-ammonium Formula: C19H34NO2+ MolecularWeight: 308.47876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+](C(C)C)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](C[NH+](C(C)C)C(C)C)O

InChI

InChI=1S/C19H33NO2/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6/h8-10,13-15,17,21H,11-12H2,1-7H3/p+1/t17-/m0/s1