N-[(2-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-fluorobenzyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O/c1-16-6-2-3-8-18(16)15-23-10-12-24(13-11-23)20(25)22-14-17-7-4-5-9-19(17)21/h2-9H,10-15H2,1H3,(H,22,25)/p+1