[(3S,4S)-3-(2,5-dimethylphenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(2,5-dimethylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2,5-dimethylphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2,5-dimethylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2,5-dimethylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2,5-dimethylphenoxy)-1-propyl-butyl]ammonium Formula: C15H26NO+ MolecularWeight: 236.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO/c1-5-7-13(16)14(6-2)17-15-10-11(3)8-9-12(15)4/h8-10,13-14H,5-7,16H2,1-4H3/p+1/t13-,14-/m0/s1