[(1S)-1-[3-(hexanoylamino)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(hexanoylamino)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(hexanoylamino)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-(1-oxohexylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(hexanoylamino)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(caproylamino)phenyl]ethyl]ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC(=C1)C(C)[NH3+]

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1)[C@H](C)[NH3+]

InChI

InChI=1S/C14H22N2O/c1-3-4-5-9-14(17)16-13-8-6-7-12(10-13)11(2)15/h6-8,10-11H,3-5,9,15H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1