[3-(2-chloranyl-5-fluoranyl-phenyl)-4-phenyl-butyl]-methyl-azanium; decanoate

Systemtic Name: [3-(2-chloranyl-5-fluoranyl-phenyl)-4-phenyl-butyl]-methyl-azanium; decanoate Openeye Name: [3-(2-chloro-5-fluoro-phenyl)-4-phenyl-butyl]-methyl-ammonium; decanoate CAS Name: [3-(2-chloro-5-fluorophenyl)-4-phenylbutyl]-methylammonium; decanoate IUPAC Name: [3-(2-chloro-5-fluorophenyl)-4-phenylbutyl]-methylazanium; decanoate Traditional Name: caprate; [3-(2-chloro-5-fluoro-phenyl)-4-phenyl-butyl]-methyl-ammonium Formula: C27H39ClFNO2 MolecularWeight: 464.055463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].C[NH2+]CCC(CC1=CC=CC=C1)C2=C(C=CC(=C2)F)Cl

Isomeric SMILES

CCCCCCCCCC(=O)[O-].C[NH2+]CCC(CC1=CC=CC=C1)C2=C(C=CC(=C2)F)Cl

InChI

InChI=1S/C17H19ClFN.C10H20O2/c1-20-10-9-14(11-13-5-3-2-4-6-13)16-12-15(19)7-8-17(16)18;1-2-3-4-5-6-7-8-9-10(11)12/h2-8,12,14,20H,9-11H2,1H3;2-9H2,1H3,(H,11,12)