ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid ethyl ester Formula: C18H22FN2O3+ MolecularWeight: 333.377283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN2O3/c1-2-23-18(22)16-7-12-24-17(16)13-20-8-10-21(11-9-20)15-5-3-14(19)4-6-15/h3-7,12H,2,8-11,13H2,1H3/p+1