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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-3-20-11-7-8-18(2)22(20)23-21(26)17-25-14-12-24(13-15-25)16-19-9-5-4-6-10-19/h4-11H,3,12-17H2,1-2H3,(H,23,26)/p+2