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

Systemtic Name: (E)-18-(3-aminocarbonyl-5-fluoranyl-pyrazin-1-ium-1-yl)octadec-9-enoic acid Openeye Name: (E)-18-(3-carbamoyl-5-fluoro-pyrazin-1-ium-1-yl)octadec-9-enoic acid CAS Name: (E)-18-(3-carbamoyl-5-fluoro-1-pyrazin-1-iumyl)-9-octadecenoic acid IUPAC Name: (E)-18-(3-carbamoyl-5-fluoropyrazin-1-ium-1-yl)octadec-9-enoic acid Traditional Name: (E)-18-(3-carbamoyl-5-fluoro-pyrazin-1-ium-1-yl)octadec-9-enoic acid Formula: C23H37FN3O3+ MolecularWeight: 422.556583

Click to see the large picture

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)/p+1/b2-1+