(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[4,4,4-tris(fluoranyl)butyl]azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[4,4,4-tris(fluoranyl)butyl]azanium Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-(4,4,4-trifluorobutyl)ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)methyl-phenethyl-(4,4,4-trifluorobutyl)ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-(4,4,4-trifluorobutyl)azanium Traditional Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-(4,4,4-trifluorobutyl)ammonium Formula: C19H31F3N2+2 MolecularWeight: 344.45805

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCCC(F)(F)F)CCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCCC(F)(F)F)CCC2=CC=CC=C2

InChI

InChI=1S/C19H29F3N2/c1-23-13-8-18(9-14-23)16-24(12-5-11-19(20,21)22)15-10-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3/p+2