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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22BrClN3O+ MolecularWeight: 423.75448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrClN3O/c1-14-5-6-18(17(20)11-14)22-19(25)13-23-7-9-24(10-8-23)16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)/p+1