[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-[(1S)-1-phenylethyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-16(17-8-6-5-7-9-17)22-14-19(23)15-24-20-12-10-18(11-13-20)21(2,3)4/h5-13,16,19,22-23H,14-15H2,1-4H3/p+1/t16-,19-/m0/s1