[(1S)-2-[[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(COC1=CC=C(C=C1)C#N)O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]C[C@H](COC1=CC=C(C=C1)C#N)O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2/c1-23(2)20(17-6-4-3-5-7-17)14-22-13-18(24)15-25-19-10-8-16(12-21)9-11-19/h3-11,18,20,22,24H,13-15H2,1-2H3/p+2/t18-,20-/m1/s1