2-cyanoethyl-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: 2-cyanoethyl-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-cyanoethyl)-[(1S)-2-ethoxy-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-cyanoethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-cyanoethyl)-[(2S)-1-ethoxy-1-oxopropan-2-yl]azanium Traditional Name: benzyl-(2-cyanoethyl)-[(1S)-2-ethoxy-2-keto-1-methyl-ethyl]ammonium Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)[NH+](CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](C)[NH+](CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C15H20N2O2/c1-3-19-15(18)13(2)17(11-7-10-16)12-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,11-12H2,1-2H3/p+1/t13-/m0/s1