[(1R,2S)-1-[(1R)-1-cyano-3-methyl-butoxy]-1-phenyl-propan-2-yl]-trimethyl-azanium iodide

Systemtic Name: [(1R,2S)-1-[(1R)-1-cyano-3-methyl-butoxy]-1-phenyl-propan-2-yl]-trimethyl-azanium iodide Openeye Name: [(1S,2R)-2-[(1R)-1-cyano-3-methyl-butoxy]-1-methyl-2-phenyl-ethyl]-trimethyl-ammonium iodide CAS Name: [(1R,2S)-1-[(1R)-1-cyano-3-methylbutoxy]-1-phenylpropan-2-yl]-trimethylammonium iodide IUPAC Name: [(1R,2S)-1-[(1R)-1-cyano-3-methylbutoxy]-1-phenylpropan-2-yl]-trimethylazanium iodide Traditional Name: [(1S,2R)-2-[(1R)-1-cyano-3-methyl-butoxy]-1-methyl-2-phenyl-ethyl]-trimethyl-ammonium iodide Formula: C18H29IN2O MolecularWeight: 416.34013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)OC(C1=CC=CC=C1)C(C)[N+](C)(C)C.[I-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O[C@H](CC(C)C)C#N)[N+](C)(C)C.[I-]

InChI

InChI=1S/C18H29N2O.HI/c1-14(2)12-17(13-19)21-18(15(3)20(4,5)6)16-10-8-7-9-11-16;/h7-11,14-15,17-18H,12H2,1-6H3;1H/q+1;/p-1/t15-,17+,18-;/m0./s1