N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-amine

Systemtic Name: N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-amine Openeye Name: N-[[(3R)-3-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-amine CAS Name: N-[[(3R)-3-(4-fluorophenyl)-3-oxolanyl]methyl]-2-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolamine IUPAC Name: N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-amine Traditional Name: [(3R)-3-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]amine Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C(=CC=N2)NCC3(CCOC3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)N2C(=CC=N2)NC[C@@]3(CCOC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H27FN4O/c1-24-11-7-18(8-12-24)25-19(6-10-23-25)22-14-20(9-13-26-15-20)16-2-4-17(21)5-3-16/h2-6,10,18,22H,7-9,11-15H2,1H3/p+1/t20-/m1/s1