[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(m-tolyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(3-methylphenyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone Formula: C19H21ClFN2O+ MolecularWeight: 347.834243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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