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

Systemtic Name: [(1S,2S)-1-(4-ethoxyphenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(4-ethoxyphenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(4-ethoxyphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(4-ethoxyphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-2-ethyl-1-p-phenetyl-hexyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-4-7-8-13(5-2)16(17)14-9-11-15(12-10-14)18-6-3/h9-13,16H,4-8,17H2,1-3H3/p+1/t13-,16-/m0/s1