N-[(2-fluorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-4-(m-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-fluorobenzyl)-4-(3-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

InChI

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