N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dibromo-4-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dibromo-4-methylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dibromo-4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dibromo-4-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H19Br2N4OS+ MolecularWeight: 475.22126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3)Br

InChI

InChI=1S/C16H18Br2N4OS/c1-11-8-12(17)15(13(18)9-11)20-14(23)10-21-3-5-22(6-4-21)16-19-2-7-24-16/h2,7-9H,3-6,10H2,1H3,(H,20,23)/p+1