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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(2-methylpropyl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-isobutyl-ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]-(2-methylpropyl)ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(2-methylpropyl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-isobutyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-5-6-16(20)18-13-7-8-15(19)14(9-13)12(4)17-10-11(2)3/h7-9,11-12,17,19H,5-6,10H2,1-4H3,(H,18,20)/p+1/t12-/m0/s1