1,1-dibutyl-4-(4-nitrophenyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-ium

Systemtic Name: 1,1-dibutyl-4-(4-nitrophenyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-ium Openeye Name: 1,1-dibutyl-4-(4-nitrophenyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-ium CAS Name: 1,1-dibutyl-4-(4-nitrophenyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-ium IUPAC Name: 1,1-dibutyl-4-(4-nitrophenyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-ium Traditional Name: 1,1-dibutyl-4-(4-nitrophenyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-ium Formula: C27H36F3N2O3+ MolecularWeight: 493.58155

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(C(C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-])CCCC

Isomeric SMILES

CCCC[N+]1(CCC(C(C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-])CCCC

InChI

InChI=1S/C27H36F3N2O3/c1-3-5-16-32(17-6-4-2)18-15-26(21-7-11-24(12-8-21)31(33)34)22(19-32)20-35-25-13-9-23(10-14-25)27(28,29)30/h7-14,22,26H,3-6,15-20H2,1-2H3/q+1