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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(2-hydroxyethyl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(2-hydroxyethyl)ammonium CAS Name: 2-hydroxyethyl-[(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(2-hydroxyethyl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(2-hydroxyethyl)ammonium Formula: C14H23N2O3+ MolecularWeight: 267.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-3-4-14(19)16-11-5-6-13(18)12(9-11)10(2)15-7-8-17/h5-6,9-10,15,17-18H,3-4,7-8H2,1-2H3,(H,16,19)/p+1/t10-/m0/s1