2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-(2-furfurylcarbamoyl)acetamide Formula: C20H27FN4O4+2 MolecularWeight: 406.451183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H25FN4O4/c1-28-18-5-4-16(21)11-15(18)13-24-6-8-25(9-7-24)14-19(26)23-20(27)22-12-17-3-2-10-29-17/h2-5,10-11H,6-9,12-14H2,1H3,(H2,22,23,26,27)/p+2