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

Systemtic Name: (5-chloranyl-2-fluoranyl-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-fluoro-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-fluorophenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-2-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-fluoro-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H21ClFN2O+ MolecularWeight: 347.834243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

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