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

Systemtic Name: [(3S,4S)-3-(2,3,5-trimethylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-1-propyl-2-(2,3,5-trimethylphenoxy)butyl]ammonium CAS Name: [(3S,4S)-3-(2,3,5-trimethylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2,3,5-trimethylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-1-propyl-2-(2,3,5-trimethylphenoxy)butyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC(=CC(=C1C)C)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC(=CC(=C1C)C)C)[NH3+]

InChI

InChI=1S/C16H27NO/c1-6-8-14(17)15(7-2)18-16-10-11(3)9-12(4)13(16)5/h9-10,14-15H,6-8,17H2,1-5H3/p+1/t14-,15-/m0/s1