2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C20H27N3OS/c1-15-10-16(2)20(17(3)11-15)21-19(24)13-23-7-5-22(6-8-23)12-18-4-9-25-14-18/h4,9-11,14H,5-8,12-13H2,1-3H3,(H,21,24)/p+1