[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone Formula: C19H21ClFN2O+ MolecularWeight: 347.834243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O/c1-14-5-6-16(12-18(14)21)19(24)23-9-7-22(8-10-23)13-15-3-2-4-17(20)11-15/h2-6,11-12H,7-10,13H2,1H3/p+1