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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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