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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C22H28N4O+2 MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O/c1-17-4-3-5-18(2)22(17)24-21(27)16-26-12-10-25(11-13-26)15-20-8-6-19(14-23)7-9-20/h3-9H,10-13,15-16H2,1-2H3,(H,24,27)/p+2