N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23ClN3O4S+ MolecularWeight: 424.92162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)OC)Cl

InChI

InChI=1S/C19H22ClN3O4S/c1-26-15-11-14(16(27-2)10-13(15)20)21-18(24)12-22-5-7-23(8-6-22)19(25)17-4-3-9-28-17/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,24)/p+1