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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

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