2-azanyl-N-[2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-1-yl]methylamino]-2-oxidanylidene-ethyl]-4,5-bis(fluoranyl)benzamide

Systemtic Name: 2-azanyl-N-[2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-1-yl]methylamino]-2-oxidanylidene-ethyl]-4,5-bis(fluoranyl)benzamide Openeye Name: 2-amino-N-[2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-1-yl]methylamino]-2-oxo-ethyl]-4,5-difluoro-benzamide CAS Name: 2-amino-N-[2-[[1-[(4-bromophenyl)methyl]-1-piperidin-1-iumyl]methylamino]-2-oxoethyl]-4,5-difluorobenzamide IUPAC Name: 2-amino-N-[2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-1-yl]methylamino]-2-oxoethyl]-4,5-difluorobenzamide Traditional Name: 2-amino-N-[2-[[1-(4-bromobenzyl)piperidin-1-ium-1-yl]methylamino]-2-keto-ethyl]-4,5-difluoro-benzamide Formula: C22H26BrF2N4O2+ MolecularWeight: 496.368246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=C(C=C2)Br)CNC(=O)CNC(=O)C3=CC(=C(C=C3N)F)F

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=C(C=C2)Br)CNC(=O)CNC(=O)C3=CC(=C(C=C3N)F)F

InChI

InChI=1S/C22H25BrF2N4O2/c23-16-6-4-15(5-7-16)13-29(8-2-1-3-9-29)14-28-21(30)12-27-22(31)17-10-18(24)19(25)11-20(17)26/h4-7,10-11H,1-3,8-9,12-14H2,(H3-,26,27,28,30,31)/p+1