(E)-18-(3-aminocarbonyl-5-fluoranyl-pyrazin-1-ium-1-yl)octadec-9-enoate

Systemtic Name: (E)-18-(3-aminocarbonyl-5-fluoranyl-pyrazin-1-ium-1-yl)octadec-9-enoate Openeye Name: (E)-18-(3-carbamoyl-5-fluoro-pyrazin-1-ium-1-yl)octadec-9-enoate CAS Name: (E)-18-(3-carbamoyl-5-fluoro-1-pyrazin-1-iumyl)-9-octadecenoate IUPAC Name: (E)-18-(3-carbamoyl-5-fluoropyrazin-1-ium-1-yl)octadec-9-enoate Traditional Name: (E)-18-(3-carbamoyl-5-fluoro-pyrazin-1-ium-1-yl)octadec-9-enoate Formula: C23H36FN3O3 MolecularWeight: 421.548643

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(C=[N+]1CCCCCCCCC=CCCCCCCCC(=O)[O-])F)C(=O)N

Isomeric SMILES

C1=C(N=C(C=[N+]1CCCCCCCC/C=C/CCCCCCCC(=O)[O-])F)C(=O)N

InChI

InChI=1S/C23H36FN3O3/c24-21-19-27(18-20(26-21)23(25)30)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(28)29/h1-2,18-19H,3-17H2,(H2-,25,28,29,30)/b2-1+