(2R)-2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2R)-2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: (2R)-2-[4-[cyclohexyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2R)-2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: (2R)-2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Formula: C19H25FN3O+ MolecularWeight: 330.419703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CC[NH+](CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[NH+](CC2)[C@@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3O/c20-17-8-6-15(7-9-17)18(14-21)22-10-12-23(13-11-22)19(24)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-13H2/p+1/t18-/m0/s1