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

Systemtic Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-isopropyl-ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-11(2)16-9-13(17)10-18-14-5-3-12(4-6-14)7-8-15/h3-6,11,13,16-17H,7,9-10H2,1-2H3/p+1/t13-/m0/s1