[(3S,4S)-3-(2-methoxy-4-methyl-phenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(2-methoxy-4-methyl-phenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-methoxy-4-methyl-phenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-methoxy-4-methylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-methoxy-4-methylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-methoxy-4-methyl-phenoxy)-1-propyl-butyl]ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-5-7-12(16)13(6-2)18-14-9-8-11(3)10-15(14)17-4/h8-10,12-13H,5-7,16H2,1-4H3/p+1/t12-,13-/m0/s1