methyl 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C18H21ClFN2O3+ MolecularWeight: 367.822343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H20ClFN2O3/c1-24-18(23)15-4-9-25-17(15)12-22-7-5-21(6-8-22)11-13-2-3-14(20)10-16(13)19/h2-4,9-10H,5-8,11-12H2,1H3/p+1