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

Systemtic Name: [(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]-isopropyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-propan-2-ylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]-isopropyl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-11(2)16-7-6-15(8-13(16)5)19-10-14(18)9-17-12(3)4/h6-8,11-12,14,17-18H,9-10H2,1-5H3/p+1/t14-/m0/s1