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

Systemtic Name: 4-(diphenylmethyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-(diphenylmethyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazin-4-ium-1-carboxamide Formula: C26H25F3N3O3+ MolecularWeight: 484.49021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4(OC5=CC=CC=C5O4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4(OC5=CC=CC=C5O4)C(F)(F)F

InChI

InChI=1S/C26H24F3N3O3/c27-25(28,29)26(34-21-13-7-8-14-22(21)35-26)30-24(33)32-17-15-31(16-18-32)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,30,33)/p+1