[(3S)-3-(2,6-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(2,6-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: [(3S)-3-(2,6-dimethylphenoxy)-3-(4-isopropylphenyl)propyl]ammonium CAS Name: [(3S)-3-(2,6-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(2,6-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: [(3S)-3-(2,6-dimethylphenoxy)-3-p-cumenyl-propyl]ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(CC[NH3+])C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)O[C@@H](CC[NH3+])C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H27NO/c1-14(2)17-8-10-18(11-9-17)19(12-13-21)22-20-15(3)6-5-7-16(20)4/h5-11,14,19H,12-13,21H2,1-4H3/p+1/t19-/m0/s1