[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]C[C@@H](COC2=CC=CC=C2C(C)C)O

InChI

InChI=1S/C20H27NO2/c1-15(2)19-11-7-8-12-20(19)23-14-18(22)13-21-16(3)17-9-5-4-6-10-17/h4-12,15-16,18,21-22H,13-14H2,1-3H3/p+1/t16-,18+/m1/s1