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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCCCC1)[NH+]2CCOCC2)C3=NC(=CN=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CC1(CCCCC1)[NH+]2CCOCC2)C3=NC(=CN=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H28FN5O/c1-26(16-21(9-3-2-4-10-21)27-11-13-28-14-12-27)20-24-19(15-23-25-20)17-5-7-18(22)8-6-17/h5-8,15H,2-4,9-14,16H2,1H3/p+1