5-(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazin-3-amine

Systemtic Name: 5-(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazin-3-amine Openeye Name: 5-(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazin-3-amine CAS Name: 5-(4-fluorophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazin-3-amine Traditional Name: [5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C16H21FN5+ MolecularWeight: 302.369843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=NC(=CN=N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=NC(=CN=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H20FN5/c17-14-6-4-13(5-7-14)15-12-19-21-16(20-15)18-8-11-22-9-2-1-3-10-22/h4-7,12H,1-3,8-11H2,(H,18,20,21)/p+1