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

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25BrN3O+ MolecularWeight: 403.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)Br

InChI

InChI=1S/C20H24BrN3O/c1-15-7-8-17(13-18(15)21)22-20(25)14-23-9-11-24(12-10-23)19-6-4-3-5-16(19)2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1