1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium Openeye Name: 1-[[(3S)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-(4-pyridylmethyl)piperazin-1-ium CAS Name: 1-[[(3S)-3-(3-fluorophenyl)-3-oxolanyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium Traditional Name: 1-[[(3S)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-(4-pyridylmethyl)piperazin-1-ium Formula: C21H27FN3O+ MolecularWeight: 356.456983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC1(C[NH+]2CCN(CC2)CC3=CC=NC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1COC[C@]1(C[NH+]2CCN(CC2)CC3=CC=NC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H26FN3O/c22-20-3-1-2-19(14-20)21(6-13-26-17-21)16-25-11-9-24(10-12-25)15-18-4-7-23-8-5-18/h1-5,7-8,14H,6,9-13,15-17H2/p+1/t21-/m0/s1