2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C20H26FN4O3+ MolecularWeight: 389.443843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O3/c1-23(14-19(26)22-13-18-3-2-12-28-18)20(27)15-24-8-10-25(11-9-24)17-6-4-16(21)5-7-17/h2-7,12H,8-11,13-15H2,1H3,(H,22,26)/p+1