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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H20BrN4OS+ MolecularWeight: 396.3252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4OS/c1-12-10-13(2-3-14(12)17)19-15(22)11-20-5-7-21(8-6-20)16-18-4-9-23-16/h2-4,9-10H,5-8,11H2,1H3,(H,19,22)/p+1