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

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(3-methoxypropyl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(3-methoxypropyl)ammonium CAS Name: [(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]-(3-methoxypropyl)ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(3-methoxypropyl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(3-methoxypropyl)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+]CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-4-6-16(20)18-13-7-8-15(19)14(11-13)12(2)17-9-5-10-21-3/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1