1-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C19H21F3N3O+ MolecularWeight: 364.38475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3O/c20-19(21,22)16-5-1-2-6-17(16)24-18(26)23-15-9-7-14(8-10-15)13-25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H2,23,24,26)/p+1