2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-2-methoxy-phenoxy]acetamide Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CCO)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CCO)OCC(=O)N

InChI

InChI=1S/C16H23N3O4S/c1-22-14-10-12(2-3-13(14)23-11-15(17)21)16(24)19-6-4-18(5-7-19)8-9-20/h2-3,10,20H,4-9,11H2,1H3,(H2,17,21)/p+1