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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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