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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide CAS Name: 5-bromo-2-chloro-N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzamide Formula: C24H23BrClFN3O+ MolecularWeight: 503.814323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C24H22BrClFN3O/c25-18-3-10-23(26)22(15-18)24(31)28-20-6-8-21(9-7-20)30-13-11-29(12-14-30)16-17-1-4-19(27)5-2-17/h1-10,15H,11-14,16H2,(H,28,31)/p+1