3-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[C@@H](OC1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

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