[(1S,2S)-1-(4-tert-butylphenyl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(4-tert-butylphenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(4-tert-butylphenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(4-tert-butylphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(4-tert-butylphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(4-tert-butylphenyl)-2-ethyl-hexyl]ammonium Formula: C18H32N+ MolecularWeight: 262.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC=C(C=C1)C(C)(C)C)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC=C(C=C1)C(C)(C)C)[NH3+]

InChI

InChI=1S/C18H31N/c1-6-8-9-14(7-2)17(19)15-10-12-16(13-11-15)18(3,4)5/h10-14,17H,6-9,19H2,1-5H3/p+1/t14-,17-/m0/s1