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

Systemtic Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]-tert-butyl-azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-tert-butylazanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-6-13(2)15-9-7-8-10-16(15)20-12-14(19)11-18-17(3,4)5/h7-10,13-14,18-19H,6,11-12H2,1-5H3/p+1/t13-,14-/m0/s1