2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-ethanone dichloride

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-ethanone dichloride Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(2-thienyl)ethanone dichloride CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-thiophen-2-ylethanone dichloride IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylethanone dichloride Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(2-thienyl)ethanone dichloride Formula: C17H22Cl2N2OS MolecularWeight: 373.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C3=CC=CS3.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C3=CC=CS3.[Cl-].[Cl-]

InChI

InChI=1S/C17H20N2OS.2ClH/c20-16(17-7-4-12-21-17)14-19-10-8-18(9-11-19)13-15-5-2-1-3-6-15;;/h1-7,12H,8-11,13-14H2;2*1H