1-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium

Systemtic Name: 1-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium Openeye Name: 1-[[(3R)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium CAS Name: 1-[[(3R)-3-(3-fluorophenyl)-3-oxolanyl]methyl]-4-(3-methyl-4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium Traditional Name: 1-[[(3R)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium Formula: C21H28FN3O+2 MolecularWeight: 357.464923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1)N2CC[NH+](CC2)CC3(CCOC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C[NH+]=C1)N2CC[NH+](CC2)C[C@@]3(CCOC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H26FN3O/c1-17-14-23-7-5-20(17)25-10-8-24(9-11-25)15-21(6-12-26-16-21)18-3-2-4-19(22)13-18/h2-5,7,13-14H,6,8-12,15-16H2,1H3/p+2/t21-/m1/s1