N-[(2R)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2R)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(2R)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(2R)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2R)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(2R)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C19H27Cl3N3O3+ MolecularWeight: 451.79498

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2(OC3=C(O2)C=C(C=C3)C(C)(C)C)C(Cl)(Cl)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N[C@@]2(OC3=C(O2)C=C(C=C3)C(C)(C)C)C(Cl)(Cl)Cl

InChI

InChI=1S/C19H26Cl3N3O3/c1-5-24-8-10-25(11-9-24)16(26)23-19(18(20,21)22)27-14-7-6-13(17(2,3)4)12-15(14)28-19/h6-7,12H,5,8-11H2,1-4H3,(H,23,26)/p+1/t19-/m1/s1