[4-[2,6-bis(trifluoromethyl)phenyl]-4-cyano-4-cyclopentyl-butyl]-ethyl-methyl-phenethyl-azanium

Systemtic Name: [4-[2,6-bis(trifluoromethyl)phenyl]-4-cyano-4-cyclopentyl-butyl]-ethyl-methyl-phenethyl-azanium Openeye Name: [4-[2,6-bis(trifluoromethyl)phenyl]-4-cyano-4-cyclopentyl-butyl]-ethyl-methyl-phenethyl-ammonium CAS Name: [4-[2,6-bis(trifluoromethyl)phenyl]-4-cyano-4-cyclopentylbutyl]-ethyl-methyl-phenethylammonium IUPAC Name: [4-[2,6-bis(trifluoromethyl)phenyl]-4-cyano-4-cyclopentylbutyl]-ethyl-methyl-phenethylazanium Traditional Name: [4-[2,6-bis(trifluoromethyl)phenyl]-4-cyano-4-cyclopentyl-butyl]-ethyl-methyl-phenethyl-ammonium Formula: C29H35F6N2+ MolecularWeight: 525.592019

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCCC(C#N)(C1CCCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

CC[N+](C)(CCCC(C#N)(C1CCCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C29H35F6N2/c1-3-37(2,20-17-22-11-5-4-6-12-22)19-10-18-27(21-36,23-13-7-8-14-23)26-24(28(30,31)32)15-9-16-25(26)29(33,34)35/h4-6,9,11-12,15-16,23H,3,7-8,10,13-14,17-20H2,1-2H3/q+1