methyl 2-[4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C16H23N3O3S/c1-22-15(21)12-13-2-4-14(5-3-13)17-16(23)19-8-6-18(7-9-19)10-11-20/h2-5,20H,6-12H2,1H3,(H,17,23)/p+1