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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24BrFN3O+ MolecularWeight: 421.326463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3F

InChI

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