methyl 5-[methyl-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-ium-3-yl]methyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[methyl-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-ium-3-yl]methyl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[methyl-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-ium-3-yl]methyl]amino]-5-oxo-pentanoate CAS Name: 5-[methyl-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidin-1-iumyl]methyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[methyl-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-ium-3-yl]methyl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[methyl-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-ium-3-yl]methyl]amino]valeric acid methyl ester Formula: C22H32F3N2O3+ MolecularWeight: 429.49629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)C(F)(F)F)C(=O)CCCC(=O)OC

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)C(F)(F)F)C(=O)CCCC(=O)OC

InChI

InChI=1S/C22H31F3N2O3/c1-26(20(28)9-4-10-21(29)30-2)15-18-7-5-12-27(16-18)13-11-17-6-3-8-19(14-17)22(23,24)25/h3,6,8,14,18H,4-5,7,9-13,15-16H2,1-2H3/p+1/t18-/m1/s1