[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]hexyl]azanium

Systemtic Name: [(1S)-1-[4-[(2R)-butan-2-yl]phenyl]hexyl]azanium Openeye Name: [(1S)-1-[4-[(1R)-1-methylpropyl]phenyl]hexyl]ammonium CAS Name: [(1S)-1-[4-[(2R)-butan-2-yl]phenyl]hexyl]ammonium IUPAC Name: [(1S)-1-[4-[(2R)-butan-2-yl]phenyl]hexyl]azanium Traditional Name: [(1S)-1-[4-[(1R)-1-methylpropyl]phenyl]hexyl]ammonium Formula: C16H28N+ MolecularWeight: 234.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-4-6-7-8-16(17)15-11-9-14(10-12-15)13(3)5-2/h9-13,16H,4-8,17H2,1-3H3/p+1/t13-,16+/m1/s1