1-(4-bromanyl-2-fluoranyl-phenyl)-3-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-3-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea CAS Name: 1-(4-bromo-2-fluorophenyl)-3-[2-hydroxy-4-(1-pyrrolidin-1-iumylidene)-1-benzopyran-3-yl]urea IUPAC Name: 1-(4-bromo-2-fluorophenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidenechromen-3-yl)urea Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea Formula: C20H18BrFN3O3+ MolecularWeight: 447.277623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=C(C=C(C=C4)Br)F)O)C1

Isomeric SMILES

C1CC[N+](=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=C(C=C(C=C4)Br)F)O)C1

InChI

InChI=1S/C20H17BrFN3O3/c21-12-7-8-15(14(22)11-12)23-20(27)24-17-18(25-9-3-4-10-25)13-5-1-2-6-16(13)28-19(17)26/h1-2,5-8,11H,3-4,9-10H2,(H2,23,24,27)/p+1