[(3S,4S)-3-(4-ethoxyphenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(4-ethoxyphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(4-ethoxyphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(4-ethoxyphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(4-ethoxyphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(4-ethoxyphenoxy)-1-propyl-butyl]ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC=C(C=C1)OCC)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC=C(C=C1)OCC)[NH3+]

InChI

InChI=1S/C15H25NO2/c1-4-7-14(16)15(5-2)18-13-10-8-12(9-11-13)17-6-3/h8-11,14-15H,4-7,16H2,1-3H3/p+1/t14-,15-/m0/s1