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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(cyclopropylmethyl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(cyclopropylmethyl)ammonium CAS Name: cyclopropylmethyl-[(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(cyclopropylmethyl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(cyclopropylmethyl)ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)O)C(C)[NH2+]CC2CC2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)O)[C@H](C)[NH2+]CC2CC2

InChI

InChI=1S/C16H24N2O2/c1-3-4-16(20)18-13-7-8-15(19)14(9-13)11(2)17-10-12-5-6-12/h7-9,11-12,17,19H,3-6,10H2,1-2H3,(H,18,20)/p+1/t11-/m0/s1