[(3R)-3-cyano-4-oxidanylidene-5-(4-phenoxybutanoyloxy)pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-4-oxidanylidene-5-(4-phenoxybutanoyloxy)pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-3-oxo-4-(4-phenoxybutanoyloxy)butyl]ammonium CAS Name: [(3R)-3-cyano-4-oxo-5-(1-oxo-4-phenoxybutoxy)pent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-4-oxo-5-(4-phenoxybutanoyloxy)pent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-(4-phenoxybutanoyloxy)propyl]vinylammonium Formula: C16H19N2O4+ MolecularWeight: 303.33306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CCCOC1=CC=CC=C1)[NH3+]

Isomeric SMILES

C=C([C@H](C#N)C(=O)COC(=O)CCCOC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C16H18N2O4/c1-12(18)14(10-17)15(19)11-22-16(20)8-5-9-21-13-6-3-2-4-7-13/h2-4,6-7,14H,1,5,8-9,11,18H2/p+1/t14-/m0/s1