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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(2-methylbutan-2-yl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(1,1-dimethylpropyl)ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]-(2-methylbutan-2-yl)ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-6-8-16(21)18-13-9-10-15(20)14(11-13)12(3)19-17(4,5)7-2/h9-12,19-20H,6-8H2,1-5H3,(H,18,21)/p+1/t12-/m0/s1