2-methylpropyl-[(2R)-2-oxidanyl-2-(3-phenethyloxyphenyl)ethyl]azanium

Systemtic Name: 2-methylpropyl-[(2R)-2-oxidanyl-2-(3-phenethyloxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-hydroxy-2-(3-phenethyloxyphenyl)ethyl]-isobutyl-ammonium CAS Name: [(2R)-2-hydroxy-2-(3-phenethyloxyphenyl)ethyl]-(2-methylpropyl)ammonium IUPAC Name: [(2R)-2-hydroxy-2-(3-phenethyloxyphenyl)ethyl]-(2-methylpropyl)azanium Traditional Name: [(2R)-2-hydroxy-2-(3-phenethyloxyphenyl)ethyl]-isobutyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(C1=CC(=CC=C1)OCCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C[NH2+]C[C@@H](C1=CC(=CC=C1)OCCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO2/c1-16(2)14-21-15-20(22)18-9-6-10-19(13-18)23-12-11-17-7-4-3-5-8-17/h3-10,13,16,20-22H,11-12,14-15H2,1-2H3/p+1/t20-/m0/s1