2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: N-[2-(phenylthio)ethyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H29N3O3S+2 MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22(23-8-13-29-19-4-2-1-3-5-19)16-25-11-9-24(10-12-25)15-18-6-7-20-21(14-18)28-17-27-20/h1-7,14H,8-13,15-17H2,(H,23,26)/p+2