2-(4-bromanylphenoxy)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C18H23BrN3O2S+ MolecularWeight: 425.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-13-3-2-8-22(9-13)10-15-12-25-18(20-15)21-17(23)11-24-16-6-4-14(19)5-7-16/h4-7,12-13H,2-3,8-11H2,1H3,(H,20,21,23)/p+1/t13-/m0/s1