[(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-3-4-12(16)14-9-5-6-11(15)10(7-9)8(2)13/h5-8,15H,3-4,13H2,1-2H3,(H,14,16)/p+1/t8-/m0/s1