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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-5-6-15(21)17-12-7-8-14(20)13(9-12)11(2)18-16(3,4)10-19/h7-9,11,18-20H,5-6,10H2,1-4H3,(H,17,21)/p+1/t11-/m0/s1