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

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C18H21BrClN4O2+ MolecularWeight: 440.74194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H20BrClN4O2/c1-23-6-8-24(9-7-23)17-5-3-14(11-21-17)22-18(25)12-26-16-4-2-13(19)10-15(16)20/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)/p+1