[(2R)-2-oxidanyl-3-(2,4,5-trimethylphenoxy)propyl]-phenethyl-azanium

Systemtic Name: [(2R)-2-oxidanyl-3-(2,4,5-trimethylphenoxy)propyl]-phenethyl-azanium Openeye Name: [(2R)-2-hydroxy-3-(2,4,5-trimethylphenoxy)propyl]-phenethyl-ammonium CAS Name: [(2R)-2-hydroxy-3-(2,4,5-trimethylphenoxy)propyl]-phenethylammonium IUPAC Name: [(2R)-2-hydroxy-3-(2,4,5-trimethylphenoxy)propyl]-phenethylazanium Traditional Name: [(2R)-2-hydroxy-3-(2,4,5-trimethylphenoxy)propyl]-phenethyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCC(C[NH2+]CCC2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)OC[C@@H](C[NH2+]CCC2=CC=CC=C2)O)C

InChI

InChI=1S/C20H27NO2/c1-15-11-17(3)20(12-16(15)2)23-14-19(22)13-21-10-9-18-7-5-4-6-8-18/h4-8,11-12,19,21-22H,9-10,13-14H2,1-3H3/p+1/t19-/m1/s1