1-[4-[[2-(4-iodanylphenoxy)-1,3-thiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[2-(4-iodanylphenoxy)-1,3-thiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[2-(4-iodophenoxy)thiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-(4-iodophenoxy)-5-thiazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[2-(4-iodophenoxy)-1,3-thiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-(4-iodophenoxy)thiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C16H19IN3O2S+ MolecularWeight: 444.31043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)I

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)I

InChI

InChI=1S/C16H18IN3O2S/c1-12(21)20-8-6-19(7-9-20)11-15-10-18-16(23-15)22-14-4-2-13(17)3-5-14/h2-5,10H,6-9,11H2,1H3/p+1