[(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-hydroxy-propyl]-isopropyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C[NH2+]C(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)[C@@](C)(C[NH2+]C(C)C)O

InChI

InChI=1S/C20H27NO2/c1-5-16-6-10-18(11-7-16)23-19-12-8-17(9-13-19)20(4,22)14-21-15(2)3/h6-13,15,21-22H,5,14H2,1-4H3/p+1/t20-/m1/s1