3-[4-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[4-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-[4-[[(3S)-3-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine-2-carbonitrile CAS Name: 3-[4-[[(3S)-3-(4-fluorophenyl)-3-oxolanyl]methyl]-1-piperazin-4-iumyl]-2-pyrazinecarbonitrile IUPAC Name: 3-[4-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]piperazin-4-ium-1-yl]pyrazine-2-carbonitrile Traditional Name: 3-[4-[[(3S)-3-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]piperazin-4-ium-1-yl]pyrazinonitrile Formula: C20H23FN5O+ MolecularWeight: 368.427923

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1(C[NH+]2CCN(CC2)C3=NC=CN=C3C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1COC[C@]1(C[NH+]2CCN(CC2)C3=NC=CN=C3C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5O/c21-17-3-1-16(2-4-17)20(5-12-27-15-20)14-25-8-10-26(11-9-25)19-18(13-22)23-6-7-24-19/h1-4,6-7H,5,8-12,14-15H2/p+1/t20-/m0/s1