4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C15H17BrN3O2S+ MolecularWeight: 383.28338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H16BrN3O2S/c1-21-13-3-2-10(16)6-12(13)15-18-11(9-22-15)7-19-5-4-17-14(20)8-19/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,20)/p+1