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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(2,4-difluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(2,4-difluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(2,4-difluorophenyl)piperazin-4-ium-1-carboxamide Formula: C18H20F2N3O+ MolecularWeight: 332.367706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H19F2N3O/c19-15-6-7-17(16(20)12-15)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)/p+1