N-(3-chloranyl-2,6-diethyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26ClN3O2S/c1-3-15-7-8-17(22)16(4-2)20(15)23-19(26)14-24-9-11-25(12-10-24)21(27)18-6-5-13-28-18/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,23,26)/p+1