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

Systemtic Name: 2-[4-[(2S)-2-cyanopropyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(2S)-2-cyanopropyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(2S)-2-cyanopropyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(2S)-2-cyanopropyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[(2S)-2-cyanopropyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-14(11-19)12-21-7-9-22(10-8-21)13-17(23)20-18-15(2)5-4-6-16(18)3/h4-6,14H,7-10,12-13H2,1-3H3,(H,20,23)/p+2/t14-/m1/s1