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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-methyl-azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-methyl-ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]-methylammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-methylazanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-methyl-ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)O)C(C)[NH2+]C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)O)[C@H](C)[NH2+]C

InChI

InChI=1S/C13H20N2O2/c1-4-5-13(17)15-10-6-7-12(16)11(8-10)9(2)14-3/h6-9,14,16H,4-5H2,1-3H3,(H,15,17)/p+1/t9-/m0/s1