2-cyanoethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-cyanoethyl)-methylazanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-methyl-ammonium Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-12(18)13-4-6-15(7-5-13)20-11-14(19)10-17(2)9-3-8-16/h4-7,14,19H,3,9-11H2,1-2H3/p+1/t14-/m0/s1