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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-pentan-3-yl-azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(1-ethylpropyl)ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]-pentan-3-ylammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-pentan-3-ylazanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(1-ethylpropyl)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(CC)CC

Isomeric SMILES

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

InChI

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