[(4S)-4-(2-acetyloxy-4-cyano-phenyl)-4-(4-fluorophenyl)-4-oxidanyl-butyl]-dimethyl-azanium

Systemtic Name: [(4S)-4-(2-acetyloxy-4-cyano-phenyl)-4-(4-fluorophenyl)-4-oxidanyl-butyl]-dimethyl-azanium Openeye Name: [(4S)-4-(2-acetoxy-4-cyano-phenyl)-4-(4-fluorophenyl)-4-hydroxy-butyl]-dimethyl-ammonium CAS Name: [(4S)-4-(2-acetyloxy-4-cyanophenyl)-4-(4-fluorophenyl)-4-hydroxybutyl]-dimethylammonium IUPAC Name: [(4S)-4-(2-acetyloxy-4-cyanophenyl)-4-(4-fluorophenyl)-4-hydroxybutyl]-dimethylazanium Traditional Name: [(4S)-4-(2-acetoxy-4-cyano-phenyl)-4-(4-fluorophenyl)-4-hydroxy-butyl]-dimethyl-ammonium Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C#N)C(CCC[NH+](C)C)(C2=CC=C(C=C2)F)O

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C#N)[C@](CCC[NH+](C)C)(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C21H23FN2O3/c1-15(25)27-20-13-16(14-23)5-10-19(20)21(26,11-4-12-24(2)3)17-6-8-18(22)9-7-17/h5-10,13,26H,4,11-12H2,1-3H3/p+1/t21-/m0/s1