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

Systemtic Name: 5-(2-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2-fluorophenyl)-N-[[1-(4-morpholin-4-iumyl)cycloheptyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2-fluorophenyl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2-fluorophenyl)-1,2,4-triazin-3-yl]-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]amine Formula: C21H29FN5O+ MolecularWeight: 386.486263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC2=NC(=CN=N2)C3=CC=CC=C3F)[NH+]4CCOCC4

Isomeric SMILES

C1CCCC(CC1)(CNC2=NC(=CN=N2)C3=CC=CC=C3F)[NH+]4CCOCC4

InChI

InChI=1S/C21H28FN5O/c22-18-8-4-3-7-17(18)19-15-24-26-20(25-19)23-16-21(9-5-1-2-6-10-21)27-11-13-28-14-12-27/h3-4,7-8,15H,1-2,5-6,9-14,16H2,(H,23,25,26)/p+1