(3-fluorophenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (3-fluorobenzyl)-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C20H29FN2O+2 MolecularWeight: 332.455463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN2O/c1-16-6-7-20(24-16)15-23-10-8-17(9-11-23)13-22(2)14-18-4-3-5-19(21)12-18/h3-7,12,17H,8-11,13-15H2,1-2H3/p+2