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

Systemtic Name: [(3S,4S)-3-(2-aminocarbonylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-carbamoylphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-carbamoylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-carbamoylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-carbamoylphenoxy)-1-propyl-butyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-3-7-11(15)12(4-2)18-13-9-6-5-8-10(13)14(16)17/h5-6,8-9,11-12H,3-4,7,15H2,1-2H3,(H2,16,17)/p+1/t11-,12-/m0/s1