N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2,6-dibromo-4-methyl-phenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2,6-dibromo-4-methylphenyl)acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2,6-dibromo-4-methyl-phenyl)acetamide Formula: C17H22Br2N3O2+ MolecularWeight: 460.18348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)Br

InChI

InChI=1S/C17H21Br2N3O2/c1-11-8-13(18)16(14(19)9-11)20-15(23)10-21-4-6-22(7-5-21)17(24)12-2-3-12/h8-9,12H,2-7,10H2,1H3,(H,20,23)/p+1