N-(2-ethyl-6-methyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H25N3O3S2/c1-3-16-7-4-6-15(2)19(16)20-17(23)14-21-9-11-22(12-10-21)27(24,25)18-8-5-13-26-18/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,23)/p+1