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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H28N4O/c1-3-21-6-4-5-18(2)23(21)25-22(28)17-27-13-11-26(12-14-27)16-20-9-7-19(15-24)8-10-20/h4-10H,3,11-14,16-17H2,1-2H3,(H,25,28)/p+2