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

Systemtic Name: [(1S,2S)-2-ethyl-1-[4-(2-methylpropyl)phenyl]hexyl]azanium Openeye Name: [(1S,2S)-2-ethyl-1-(4-isobutylphenyl)hexyl]ammonium CAS Name: [(1S,2S)-2-ethyl-1-[4-(2-methylpropyl)phenyl]hexyl]ammonium IUPAC Name: [(1S,2S)-2-ethyl-1-[4-(2-methylpropyl)phenyl]hexyl]azanium Traditional Name: [(1S,2S)-2-ethyl-1-(4-isobutylphenyl)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)CC(C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H31N/c1-5-7-8-16(6-2)18(19)17-11-9-15(10-12-17)13-14(3)4/h9-12,14,16,18H,5-8,13,19H2,1-4H3/p+1/t16-,18-/m0/s1