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

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-cyanophenyl)acetamide Formula: C18H21ClN4OS+2 MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C18H19ClN4OS/c19-17-6-5-15(25-17)12-22-7-9-23(10-8-22)13-18(24)21-16-4-2-1-3-14(16)11-20/h1-6H,7-10,12-13H2,(H,21,24)/p+2