[(3S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)pentan-3-yl]azanium

Systemtic Name: [(3S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)pentan-3-yl]azanium Openeye Name: [(1S)-3-(4-chloro-3,5-dimethyl-phenoxy)-1-ethyl-propyl]ammonium CAS Name: [(3S)-1-(4-chloro-3,5-dimethylphenoxy)pentan-3-yl]ammonium IUPAC Name: [(3S)-1-(4-chloro-3,5-dimethylphenoxy)pentan-3-yl]azanium Traditional Name: [(1S)-3-(4-chloro-3,5-dimethyl-phenoxy)-1-ethyl-propyl]ammonium Formula: C13H21ClNO+ MolecularWeight: 242.76494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC1=CC(=C(C(=C1)C)Cl)C)[NH3+]

Isomeric SMILES

CC[C@@H](CCOC1=CC(=C(C(=C1)C)Cl)C)[NH3+]

InChI

InChI=1S/C13H20ClNO/c1-4-11(15)5-6-16-12-7-9(2)13(14)10(3)8-12/h7-8,11H,4-6,15H2,1-3H3/p+1/t11-/m0/s1