heptan-4-yl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]azanium

Systemtic Name: heptan-4-yl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-hydroxy-ethyl]-(1-propylbutyl)ammonium CAS Name: heptan-4-yl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]ammonium IUPAC Name: heptan-4-yl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-hydroxy-ethyl]-(1-propylbutyl)ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]C(CC1=CC=CC=C1)CO

Isomeric SMILES

CCCC(CCC)[NH2+][C@@H](CC1=CC=CC=C1)CO

InChI

InChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-16(13-18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/p+1/t16-/m0/s1