[(3R,4R)-3-(2-propoxyphenoxy)heptan-4-yl]azanium

Systemtic Name: [(3R,4R)-3-(2-propoxyphenoxy)heptan-4-yl]azanium Openeye Name: [(1R,2R)-2-(2-propoxyphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3R,4R)-3-(2-propoxyphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3R,4R)-3-(2-propoxyphenoxy)heptan-4-yl]azanium Traditional Name: [(1R,2R)-2-(2-propoxyphenoxy)-1-propyl-butyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC=CC=C1OCCC)[NH3+]

Isomeric SMILES

CCC[C@H]([C@@H](CC)OC1=CC=CC=C1OCCC)[NH3+]

InChI

InChI=1S/C16H27NO2/c1-4-9-13(17)14(6-3)19-16-11-8-7-10-15(16)18-12-5-2/h7-8,10-11,13-14H,4-6,9,12,17H2,1-3H3/p+1/t13-,14-/m1/s1