[(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(3-oxidanylpropyl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(3-hydroxypropyl)ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]-(3-hydroxypropyl)ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(3-hydroxypropyl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(3-hydroxypropyl)ammonium Formula: C15H25N2O3+ MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3/c1-3-5-15(20)17-12-6-7-14(19)13(10-12)11(2)16-8-4-9-18/h6-7,10-11,16,18-19H,3-5,8-9H2,1-2H3,(H,17,20)/p+1/t11-/m0/s1