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

Systemtic Name: [(3S,4S)-3-(2-propan-2-ylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-isopropylphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-propan-2-ylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-propan-2-ylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-isopropylphenoxy)-1-propyl-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/c1-5-9-14(17)15(6-2)18-16-11-8-7-10-13(16)12(3)4/h7-8,10-12,14-15H,5-6,9,17H2,1-4H3/p+1/t14-,15-/m0/s1