2-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-fluoranyl-benzamide

Systemtic Name: 2-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-fluoranyl-benzamide Openeye Name: 2-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-fluoro-benzamide CAS Name: 2-bromo-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-4-fluorobenzamide IUPAC Name: 2-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-4-fluorobenzamide Traditional Name: 2-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-fluoro-benzamide Formula: C20H24BrFN3O+ MolecularWeight: 421.326463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Br)C

InChI

InChI=1S/C20H23BrFN3O/c1-3-24-8-10-25(11-9-24)19-7-5-16(12-14(19)2)23-20(26)17-6-4-15(22)13-18(17)21/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,26)/p+1