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

Systemtic Name: 3-chloranyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-methyl-benzamide Formula: C25H26ClFN3O+ MolecularWeight: 438.944843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C25H25ClFN3O/c1-18-2-5-20(16-24(18)26)25(31)28-22-8-10-23(11-9-22)30-14-12-29(13-15-30)17-19-3-6-21(27)7-4-19/h2-11,16H,12-15,17H2,1H3,(H,28,31)/p+1