2-(2-bromanyl-4-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C19H24BrN4O2+ MolecularWeight: 420.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)Br

InChI

InChI=1S/C19H23BrN4O2/c1-14-3-5-17(16(20)11-14)26-13-19(25)22-15-4-6-18(21-12-15)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)/p+1