1-[(2-fluorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-N-methyl-N-[4-(4-morpholin-4-iumyl)butyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide Traditional Name: 1-(2-fluorobenzyl)-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide Formula: C19H27FN5O2+ MolecularWeight: 376.448383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC=CC=C3F

Isomeric SMILES

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H26FN5O2/c1-23(8-4-5-9-24-10-12-27-13-11-24)19(26)18-15-25(22-21-18)14-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3/p+1