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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(4-fluorobenzyl)-N-methyl-acetamide Formula: C21H26ClFN3O+ MolecularWeight: 390.902043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25ClFN3O/c1-16-3-6-18(22)13-20(16)26-11-9-25(10-12-26)15-21(27)24(2)14-17-4-7-19(23)8-5-17/h3-8,13H,9-12,14-15H2,1-2H3/p+1