[(3S,4S)-3-phenoxyheptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-phenoxyheptan-4-yl]azanium Openeye Name: [(1S,2S)-2-phenoxy-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-phenoxyheptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-phenoxyheptan-4-yl]azanium Traditional Name: [(1S,2S)-2-phenoxy-1-propyl-butyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO/c1-3-8-12(14)13(4-2)15-11-9-6-5-7-10-11/h5-7,9-10,12-13H,3-4,8,14H2,1-2H3/p+1/t12-,13-/m0/s1