methyl 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H22FN2O3+ MolecularWeight: 333.377283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)OC

InChI

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