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

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-fluoro-4-methylphenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-fluoro-4-methylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-fluoro-4-methyl-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24FN2O+ MolecularWeight: 327.415763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)F

InChI

InChI=1S/C20H23FN2O/c1-15-5-3-4-6-18(15)14-22-9-11-23(12-10-22)20(24)17-8-7-16(2)19(21)13-17/h3-8,13H,9-12,14H2,1-2H3/p+1