(4-fluoranyl-2-methoxy-phenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (4-fluoranyl-2-methoxy-phenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (4-fluoro-2-methoxy-phenyl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (4-fluoro-2-methoxyphenyl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (4-fluoro-2-methoxyphenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (4-fluoro-2-methoxy-benzyl)-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C21H31FN2O2+2 MolecularWeight: 362.481443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN2O2/c1-16-4-7-20(26-16)15-24-10-8-17(9-11-24)13-23(2)14-18-5-6-19(22)12-21(18)25-3/h4-7,12,17H,8-11,13-15H2,1-3H3/p+2