N-[2,4-bis(fluoranyl)phenyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C19H22F2N3O+ MolecularWeight: 346.394286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O/c1-14-2-4-15(5-3-14)13-23-8-10-24(11-9-23)19(25)22-18-7-6-16(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1