2-bromanyl-5-fluoranyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 2-bromanyl-5-fluoranyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 2-bromo-5-fluoro-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 2-bromo-5-fluoro-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 2-bromo-5-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 2-bromo-5-fluoro-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C20H24BrFN3O+ MolecularWeight: 421.326463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=C(C=CC(=C3)F)Br

InChI

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