[(1S)-1-cyclopentyl-3-(2,6-dimethylphenoxy)propyl]azanium

Systemtic Name: [(1S)-1-cyclopentyl-3-(2,6-dimethylphenoxy)propyl]azanium Openeye Name: [(1S)-1-cyclopentyl-3-(2,6-dimethylphenoxy)propyl]ammonium CAS Name: [(1S)-1-cyclopentyl-3-(2,6-dimethylphenoxy)propyl]ammonium IUPAC Name: [(1S)-1-cyclopentyl-3-(2,6-dimethylphenoxy)propyl]azanium Traditional Name: [(1S)-1-cyclopentyl-3-(2,6-dimethylphenoxy)propyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCC(C2CCCC2)[NH3+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC[C@@H](C2CCCC2)[NH3+]

InChI

InChI=1S/C16H25NO/c1-12-6-5-7-13(2)16(12)18-11-10-15(17)14-8-3-4-9-14/h5-7,14-15H,3-4,8-11,17H2,1-2H3/p+1/t15-/m0/s1