4-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide Formula: C14H17F3N3O3+ MolecularWeight: 332.29829

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

InChI

InChI=1S/C14H16F3N3O3/c1-19-6-8-20(9-7-19)12(21)18-14(13(15,16)17)22-10-4-2-3-5-11(10)23-14/h2-5H,6-9H2,1H3,(H,18,21)/p+1