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

Systemtic Name: [(3S,4S)-3-(2-methylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-methylphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-methylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-methylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-methylphenoxy)-1-propyl-butyl]ammonium Formula: C14H24NO+ MolecularWeight: 222.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO/c1-4-8-12(15)13(5-2)16-14-10-7-6-9-11(14)3/h6-7,9-10,12-13H,4-5,8,15H2,1-3H3/p+1/t12-,13-/m0/s1