N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20Cl2N3O2S+ MolecularWeight: 413.3413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H19Cl2N3O2S/c1-12-4-5-13(19)17(16(12)20)21-15(24)11-22-6-8-23(9-7-22)18(25)14-3-2-10-26-14/h2-5,10H,6-9,11H2,1H3,(H,21,24)/p+1