N-(3-chloranyl-4-methoxy-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H21ClN3O3S+ MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-25-15-5-4-13(11-14(15)19)20-17(23)12-21-6-8-22(9-7-21)18(24)16-3-2-10-26-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/p+1