2-[4-[(1R)-1-cyanoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(1R)-1-cyanoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(1R)-1-cyanoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(1R)-1-cyanoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(1R)-1-cyanoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[(1R)-1-cyanoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C17H26N4O+2 MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)C(C)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)[C@H](C)C#N

InChI

InChI=1S/C17H24N4O/c1-13-5-4-6-14(2)17(13)19-16(22)12-20-7-9-21(10-8-20)15(3)11-18/h4-6,15H,7-10,12H2,1-3H3,(H,19,22)/p+2/t15-/m1/s1