[(4R)-4-cyano-4-phenyl-butyl]-[(4S)-2,2-dimethyloxan-4-yl]-(phenylmethyl)azanium

Systemtic Name: [(4R)-4-cyano-4-phenyl-butyl]-[(4S)-2,2-dimethyloxan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4R)-4-cyano-4-phenyl-butyl]-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: [(4R)-4-cyano-4-phenylbutyl]-[(4S)-2,2-dimethyl-4-oxanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4R)-4-cyano-4-phenylbutyl]-[(4S)-2,2-dimethyloxan-4-yl]azanium Traditional Name: benzyl-[(4R)-4-cyano-4-phenyl-butyl]-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C25H33N2O+ MolecularWeight: 377.54232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH+](CCCC(C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@H](CCO1)[NH+](CCC[C@@H](C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N2O/c1-25(2)18-24(15-17-28-25)27(20-21-10-5-3-6-11-21)16-9-14-23(19-26)22-12-7-4-8-13-22/h3-8,10-13,23-24H,9,14-18,20H2,1-2H3/p+1/t23-,24-/m0/s1