3-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 3-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H21N3O2/c18-12-14-3-1-4-15(11-14)17(21)20-8-6-19(7-9-20)13-16-5-2-10-22-16/h1,3-4,11,16H,2,5-10,13H2/p+1/t16-/m1/s1