[(2S)-2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-isopropylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-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=C(C=C1)OCC(C[NH2+]C(C)C2=CC=CC=C2)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]C[C@@H](COC2=CC=C(C=C2)C(C)C)O

InChI

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