N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H22ClN4O3S+ MolecularWeight: 397.89958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3S/c1-24-14-10-13(15(25-2)9-12(14)18)20-16(23)11-21-4-6-22(7-5-21)17-19-3-8-26-17/h3,8-10H,4-7,11H2,1-2H3,(H,20,23)/p+1