methyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methyl-ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-9-5-10(2)11(3)13(6-9)16-8-12(15)7-14-4/h5-6,12,14-15H,7-8H2,1-4H3/p+1/t12-/m0/s1