2-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H27N3O2S/c1-4-18-16(3)13-19(27-18)21(26)24-11-9-23(10-12-24)14-20(25)22-17-7-5-15(2)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)/p+1