N-[2-[1,1-bis(phenylmethyl)pyrrolidin-1-ium-2-yl]propan-2-yl]ethanamide hexafluorophosphate

Systemtic Name: N-[2-[1,1-bis(phenylmethyl)pyrrolidin-1-ium-2-yl]propan-2-yl]ethanamide hexafluorophosphate Openeye Name: N-[1-(1,1-dibenzylpyrrolidin-1-ium-2-yl)-1-methyl-ethyl]acetamide hexafluorophosphate CAS Name: N-[2-[1,1-bis(phenylmethyl)-2-pyrrolidin-1-iumyl]propan-2-yl]acetamide hexafluorophosphate IUPAC Name: N-[2-(1,1-dibenzylpyrrolidin-1-ium-2-yl)propan-2-yl]acetamide hexafluorophosphate Traditional Name: N-[1-(1,1-dibenzylpyrrolidin-1-ium-2-yl)-1-methyl-ethyl]acetamide hexafluorophosphate Formula: C23H31F6N2OP MolecularWeight: 496.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(C)C1CCC[N+]1(CC2=CC=CC=C2)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(=O)NC(C)(C)C1CCC[N+]1(CC2=CC=CC=C2)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C23H30N2O.F6P/c1-19(26)24-23(2,3)22-15-10-16-25(22,17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21;1-7(2,3,4,5)6/h4-9,11-14,22H,10,15-18H2,1-3H3;/q;-1/p+1