2-azanyl-N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide

Systemtic Name: 2-azanyl-N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide Openeye Name: 2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: 2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]-1-pyrrolidin-1-iumyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Traditional Name: 2-amino-N-[2-[[1-(4-chlorobenzyl)pyrrolidin-1-ium-1-yl]amino]-2-keto-ethyl]-5-(trifluoromethyl)benzamide Formula: C21H23ClF3N4O2+ MolecularWeight: 455.88113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC=C(C=C2)Cl)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=C(C=C2)Cl)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C21H22ClF3N4O2/c22-16-6-3-14(4-7-16)13-29(9-1-2-10-29)28-19(30)12-27-20(31)17-11-15(21(23,24)25)5-8-18(17)26/h3-8,11H,1-2,9-10,12-13H2,(H3-,26,27,28,30,31)/p+1