[(3S,4S)-3-(2-phenoxyethoxy)heptan-4-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OCCOC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OCCOC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C15H25NO2/c1-3-8-14(16)15(4-2)18-12-11-17-13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12,16H2,1-2H3/p+1/t14-,15-/m0/s1