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

Systemtic Name: dimethyl-[(1S)-2-[[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azaniumyl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C25H32N2O2+2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(COC1=CC=C(C=C1)C2=CC=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]C[C@H](COC1=CC=C(C=C1)C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O2/c1-27(2)25(22-11-7-4-8-12-22)18-26-17-23(28)19-29-24-15-13-21(14-16-24)20-9-5-3-6-10-20/h3-16,23,25-26,28H,17-19H2,1-2H3/p+2/t23-,25-/m1/s1