2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C20H28ClN3OS+2 MolecularWeight: 393.97382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H26ClN3OS/c1-3-16-6-4-5-15(2)20(16)22-19(25)14-24-11-9-23(10-12-24)13-17-7-8-18(21)26-17/h4-8H,3,9-14H2,1-2H3,(H,22,25)/p+2