[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-[(2R)-2-phenylpropyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-[(2R)-2-phenylpropyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(2R)-2-phenylpropyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[(2R)-2-phenylpropyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[(2R)-2-phenylpropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(2R)-2-phenylpropyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH2+]CC(C)C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C[NH2+]C[C@@H](COC1=CC=CC=C1C(C)C)O)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO2/c1-16(2)20-11-7-8-12-21(20)24-15-19(23)14-22-13-17(3)18-9-5-4-6-10-18/h4-12,16-17,19,22-23H,13-15H2,1-3H3/p+1/t17-,19-/m0/s1