methyl-[(2S)-2-oxidanyl-3-(3-propan-2-ylphenoxy)propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-10(2)11-5-4-6-13(7-11)16-9-12(15)8-14-3/h4-7,10,12,14-15H,8-9H2,1-3H3/p+1/t12-/m0/s1