[(2R)-heptan-2-yl]-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [(2R)-heptan-2-yl]-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-hydroxy-2-phenyl-ethyl]-[(1R)-1-methylhexyl]ammonium CAS Name: [(2R)-heptan-2-yl]-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [(2R)-heptan-2-yl]-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [(2S)-2-hydroxy-2-phenyl-ethyl]-[(1R)-1-methylhexyl]ammonium Formula: C15H26NO+ MolecularWeight: 236.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO/c1-3-4-6-9-13(2)16-12-15(17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15-17H,3-4,6,9,12H2,1-2H3/p+1/t13-,15-/m1/s1