N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H25BrFN3O+2 MolecularWeight: 422.334403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H23BrFN3O/c1-15-3-2-4-16(11-15)13-24-7-9-25(10-8-24)14-20(26)23-19-6-5-17(21)12-18(19)22/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,26)/p+2