[(1S,2S)-1-(3,4-dimethylphenyl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(3,4-dimethylphenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(3,4-dimethylphenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(3,4-dimethylphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-dimethylphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(3,4-dimethylphenyl)-2-ethyl-hexyl]ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-5-7-8-14(6-2)16(17)15-10-9-12(3)13(4)11-15/h9-11,14,16H,5-8,17H2,1-4H3/p+1/t14-,16-/m0/s1