6-[4-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[[(3S)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[[(3S)-3-(3-fluorophenyl)-3-oxolanyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[[(3S)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O/c22-19-3-1-2-18(12-19)21(6-11-27-16-21)15-25-7-9-26(10-8-25)20-5-4-17(13-23)14-24-20/h1-5,12,14H,6-11,15-16H2/p+1/t21-/m0/s1