2-methylpropyl-[(2R)-2-oxidanyl-2-(4-phenylmethoxyphenyl)propyl]azanium

Systemtic Name: 2-methylpropyl-[(2R)-2-oxidanyl-2-(4-phenylmethoxyphenyl)propyl]azanium Openeye Name: [(2R)-2-(4-benzyloxyphenyl)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)propyl]-(2-methylpropyl)ammonium IUPAC Name: [(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)propyl]-(2-methylpropyl)azanium Traditional Name: [(2R)-2-(4-benzoxyphenyl)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C[NH2+]C[C@@](C)(C1=CC=C(C=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO2/c1-16(2)13-21-15-20(3,22)18-9-11-19(12-10-18)23-14-17-7-5-4-6-8-17/h4-12,16,21-22H,13-15H2,1-3H3/p+1/t20-/m0/s1