5-azanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: 5-amino-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: 5-amino-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C16H20F3N6O+ MolecularWeight: 369.36481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(F)(F)F)N

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C16H19F3N6O/c17-16(18,19)11-4-3-5-12(10-11)25-14(20)13(22-23-25)15(26)21-6-9-24-7-1-2-8-24/h3-5,10H,1-2,6-9,20H2,(H,21,26)/p+1