[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH3+])O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH3+])O)C(C)C

InChI

InChI=1S/C13H21NO2/c1-9(2)13-5-4-12(6-10(13)3)16-8-11(15)7-14/h4-6,9,11,15H,7-8,14H2,1-3H3/p+1/t11-/m0/s1