1-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-hydroxy-4-(1-pyrrolidin-1-iumylidene)-1-benzopyran-3-yl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidenechromen-3-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C21H19F3N3O3+ MolecularWeight: 418.38907

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC=CC=C4C(F)(F)F)O)C1

Isomeric SMILES

C1CC[N+](=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC=CC=C4C(F)(F)F)O)C1

InChI

InChI=1S/C21H18F3N3O3/c22-21(23,24)14-8-2-3-9-15(14)25-20(29)26-17-18(27-11-5-6-12-27)13-7-1-4-10-16(13)30-19(17)28/h1-4,7-10H,5-6,11-12H2,(H2,25,26,29)/p+1