[(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(COC1=CC=C(C=C1)CC#N)O

Isomeric SMILES

C[NH2+]C[C@@H](COC1=CC=C(C=C1)CC#N)O

InChI

InChI=1S/C12H16N2O2/c1-14-8-11(15)9-16-12-4-2-10(3-5-12)6-7-13/h2-5,11,14-15H,6,8-9H2,1H3/p+1/t11-/m0/s1