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

Systemtic Name: (2-fluoranyl-4-methoxy-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-fluoro-4-methoxy-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-fluoro-4-methoxyphenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-fluoro-4-methoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-fluoro-4-methoxy-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O2/c1-15-5-3-4-6-16(15)14-22-9-11-23(12-10-22)20(24)18-8-7-17(25-2)13-19(18)21/h3-8,13H,9-12,14H2,1-2H3/p+1