2-[1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]piperidin-1-ium-4-yl]oxypyrimidine

Systemtic Name: 2-[1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]piperidin-1-ium-4-yl]oxypyrimidine Openeye Name: 2-[1-[[(3S)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]piperidin-1-ium-4-yl]oxypyrimidine CAS Name: 2-[[1-[[(3S)-3-(3-fluorophenyl)-3-oxolanyl]methyl]-4-piperidin-1-iumyl]oxy]pyrimidine IUPAC Name: 2-[1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]piperidin-1-ium-4-yl]oxypyrimidine Traditional Name: 2-[1-[[(3S)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]piperidin-1-ium-4-yl]oxypyrimidine Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=NC=CC=N2)CC3(CCOC3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[NH+](CCC1OC2=NC=CC=N2)C[C@]3(CCOC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H24FN3O2/c21-17-4-1-3-16(13-17)20(7-12-25-15-20)14-24-10-5-18(6-11-24)26-19-22-8-2-9-23-19/h1-4,8-9,13,18H,5-7,10-12,14-15H2/p+1/t20-/m0/s1