5-(3-fluorophenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(3-fluorophenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(3-fluorophenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(3-fluorophenyl)-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(3-fluorophenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]amine Formula: C20H27FN5+ MolecularWeight: 356.460283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCCC2)CNC3=NC(=CN=N3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC[NH+](CC1)C2(CCCC2)CNC3=NC(=CN=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H26FN5/c21-17-8-6-7-16(13-17)18-14-23-25-19(24-18)22-15-20(9-2-3-10-20)26-11-4-1-5-12-26/h6-8,13-14H,1-5,9-12,15H2,(H,22,24,25)/p+1