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

Systemtic Name: 2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C20H24BrClN3O2+ MolecularWeight: 453.78046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)Cl)Br

InChI

InChI=1S/C20H23BrClN3O2/c1-14-11-15(21)12-18(22)20(14)27-13-19(26)23-16-3-5-17(6-4-16)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1