2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-furfurylcarbamoyl)acetamide Formula: C17H23ClN4O3S+2 MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H21ClN4O3S/c18-15-4-3-14(26-15)11-21-5-7-22(8-6-21)12-16(23)20-17(24)19-10-13-2-1-9-25-13/h1-4,9H,5-8,10-12H2,(H2,19,20,23,24)/p+2