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

Systemtic Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]-isopropyl-ammonium CAS Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]-isopropyl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(C[NH2+]C(C)C)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC[C@H](C[NH2+]C(C)C)O

InChI

InChI=1S/C16H27NO2/c1-5-13(4)15-8-6-7-9-16(15)19-11-14(18)10-17-12(2)3/h6-9,12-14,17-18H,5,10-11H2,1-4H3/p+1/t13-,14-/m0/s1