[(1R,2S)-1-[(R)-cyano(cyclohexyl)methoxy]-1-phenyl-propan-2-yl]-trimethyl-azanium

Systemtic Name: [(1R,2S)-1-[(R)-cyano(cyclohexyl)methoxy]-1-phenyl-propan-2-yl]-trimethyl-azanium Openeye Name: [(1S,2R)-2-[(R)-cyano(cyclohexyl)methoxy]-1-methyl-2-phenyl-ethyl]-trimethyl-ammonium CAS Name: [(1R,2S)-1-[(R)-cyano(cyclohexyl)methoxy]-1-phenylpropan-2-yl]-trimethylammonium IUPAC Name: [(1R,2S)-1-[(R)-cyano(cyclohexyl)methoxy]-1-phenylpropan-2-yl]-trimethylazanium Traditional Name: [(1S,2R)-2-[(R)-cyano(cyclohexyl)methoxy]-1-methyl-2-phenyl-ethyl]-trimethyl-ammonium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OC(C#N)C2CCCCC2)[N+](C)(C)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O[C@@H](C#N)C2CCCCC2)[N+](C)(C)C

InChI

InChI=1S/C20H31N2O/c1-16(22(2,3)4)20(18-13-9-6-10-14-18)23-19(15-21)17-11-7-5-8-12-17/h6,9-10,13-14,16-17,19-20H,5,7-8,11-12H2,1-4H3/q+1/t16-,19-,20-/m0/s1