N-[2-chloranyl-4,5-bis(fluoranyl)phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-chloranyl-4,5-bis(fluoranyl)phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(2-chloro-4,5-difluoro-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2-chloro-4,5-difluorophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(2-chloro-4,5-difluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(2-chloro-4,5-difluoro-phenyl)piperazin-4-ium-1-carboxamide Formula: C18H19ClF2N3O+ MolecularWeight: 366.812766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3Cl)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3Cl)F)F

InChI

InChI=1S/C18H18ClF2N3O/c19-14-10-15(20)16(21)11-17(14)22-18(25)24-8-6-23(7-9-24)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,22,25)/p+1