[(2S)-2-ethylhexyl]-[(1R)-1-(3-hydroxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-hydroxyphenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-hydroxyphenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-hydroxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-hydroxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-hydroxyphenyl)ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-4-6-8-14(5-2)12-17-13(3)15-9-7-10-16(18)11-15/h7,9-11,13-14,17-18H,4-6,8,12H2,1-3H3/p+1/t13-,14+/m1/s1