[(2S)-2-[4-(3-ethylphenoxy)phenyl]-2-oxidanyl-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [(2S)-2-[4-(3-ethylphenoxy)phenyl]-2-oxidanyl-ethyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-2-[4-(3-ethylphenoxy)phenyl]-2-hydroxy-ethyl]-isobutyl-ammonium CAS Name: [(2S)-2-[4-(3-ethylphenoxy)phenyl]-2-hydroxyethyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-[4-(3-ethylphenoxy)phenyl]-2-hydroxyethyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-2-[4-(3-ethylphenoxy)phenyl]-2-hydroxy-ethyl]-isobutyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-4-16-6-5-7-19(12-16)23-18-10-8-17(9-11-18)20(22)14-21-13-15(2)3/h5-12,15,20-22H,4,13-14H2,1-3H3/p+1/t20-/m1/s1