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

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-benzylsulfanylethyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(benzylthio)ethyl]acetamide Formula: C22H31N3OS+2 MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c26-22(23-11-16-27-19-21-9-5-2-6-10-21)18-25-14-12-24(13-15-25)17-20-7-3-1-4-8-20/h1-10H,11-19H2,(H,23,26)/p+2