[(3S)-4-(3-ethoxyphenoxy)-3-oxidanyl-butyl]azanium

Systemtic Name: [(3S)-4-(3-ethoxyphenoxy)-3-oxidanyl-butyl]azanium Openeye Name: [(3S)-4-(3-ethoxyphenoxy)-3-hydroxy-butyl]ammonium CAS Name: [(3S)-4-(3-ethoxyphenoxy)-3-hydroxybutyl]ammonium IUPAC Name: [(3S)-4-(3-ethoxyphenoxy)-3-hydroxybutyl]azanium Traditional Name: [(3S)-4-(3-ethoxyphenoxy)-3-hydroxy-butyl]ammonium Formula: C12H20NO3+ MolecularWeight: 226.2921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)OCC(CC[NH3+])O

Isomeric SMILES

CCOC1=CC(=CC=C1)OC[C@H](CC[NH3+])O

InChI

InChI=1S/C12H19NO3/c1-2-15-11-4-3-5-12(8-11)16-9-10(14)6-7-13/h3-5,8,10,14H,2,6-7,9,13H2,1H3/p+1/t10-/m0/s1