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

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methylfuran-3-yl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-3-furyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-3-furanyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylfuran-3-yl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(2-methyl-3-furyl)methanone Formula: C17H19ClFN2O2+ MolecularWeight: 337.796363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H18ClFN2O2/c1-12-15(4-9-23-12)17(22)21-7-5-20(6-8-21)11-13-2-3-14(19)10-16(13)18/h2-4,9-10H,5-8,11H2,1H3/p+1