N-[1-[[3,4-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-1-yl]-9-cyclopentyl-purin-2-amine

Systemtic Name: N-[1-[[3,4-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-1-yl]-9-cyclopentyl-purin-2-amine Openeye Name: 9-cyclopentyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-1-ium-1-yl]purin-2-amine CAS Name: 9-cyclopentyl-N-[1-[(3,4-difluorophenyl)methyl]-1-piperidin-1-iumyl]-2-purinamine IUPAC Name: 9-cyclopentyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-1-ium-1-yl]purin-2-amine Traditional Name: (9-cyclopentylpurin-2-yl)-[1-(3,4-difluorobenzyl)piperidin-1-ium-1-yl]amine Formula: C22H27F2N6+ MolecularWeight: 413.486786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC(=C(C=C2)F)F)NC3=NC=C4C(=N3)N(C=N4)C5CCCC5

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC(=C(C=C2)F)F)NC3=NC=C4C(=N3)N(C=N4)C5CCCC5

InChI

InChI=1S/C22H27F2N6/c23-18-9-8-16(12-19(18)24)14-30(10-4-1-5-11-30)28-22-25-13-20-21(27-22)29(15-26-20)17-6-2-3-7-17/h8-9,12-13,15,17H,1-7,10-11,14H2,(H,25,27,28)/q+1