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

Systemtic Name: dimethyl-[(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]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]-dimethyl-ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-11(2)15-7-6-14(8-12(15)3)18-10-13(17)9-16(4)5/h6-8,11,13,17H,9-10H2,1-5H3/p+1/t13-/m0/s1