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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-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=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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