[(3S)-3-(2-chloranyl-4-fluoranyl-phenoxy)-3-(4-methylphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(2-chloranyl-4-fluoranyl-phenoxy)-3-(4-methylphenyl)propyl]azanium Openeye Name: [(3S)-3-(2-chloro-4-fluoro-phenoxy)-3-(p-tolyl)propyl]ammonium CAS Name: [(3S)-3-(2-chloro-4-fluorophenoxy)-3-(4-methylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(2-chloro-4-fluorophenoxy)-3-(4-methylphenyl)propyl]azanium Traditional Name: [(3S)-3-(2-chloro-4-fluoro-phenoxy)-3-(p-tolyl)propyl]ammonium Formula: C16H18ClFNO+ MolecularWeight: 294.771623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC[NH3+])OC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC[NH3+])OC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H17ClFNO/c1-11-2-4-12(5-3-11)15(8-9-19)20-16-7-6-13(18)10-14(16)17/h2-7,10,15H,8-9,19H2,1H3/p+1/t15-/m0/s1