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

Systemtic Name: [(3R,4R)-3-(4-propoxyphenoxy)heptan-4-yl]azanium Openeye Name: [(1R,2R)-2-(4-propoxyphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3R,4R)-3-(4-propoxyphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3R,4R)-3-(4-propoxyphenoxy)heptan-4-yl]azanium Traditional Name: [(1R,2R)-2-(4-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=C(C=C1)OCCC)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-4-7-15(17)16(6-3)19-14-10-8-13(9-11-14)18-12-5-2/h8-11,15-16H,4-7,12,17H2,1-3H3/p+1/t15-,16-/m1/s1