1-(2-bromophenyl)-3-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea

Systemtic Name: 1-(2-bromophenyl)-3-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea Openeye Name: 1-(2-bromophenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea CAS Name: 1-(2-bromophenyl)-3-[2-hydroxy-4-(1-pyrrolidin-1-iumylidene)-1-benzopyran-3-yl]urea IUPAC Name: 1-(2-bromophenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidenechromen-3-yl)urea Traditional Name: 1-(2-bromophenyl)-3-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)urea Formula: C20H19BrN3O3+ MolecularWeight: 429.28716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC=CC=C4Br)O)C1

Isomeric SMILES

C1CC[N+](=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC=CC=C4Br)O)C1

InChI

InChI=1S/C20H18BrN3O3/c21-14-8-2-3-9-15(14)22-20(26)23-17-18(24-11-5-6-12-24)13-7-1-4-10-16(13)27-19(17)25/h1-4,7-10H,5-6,11-12H2,(H2,22,23,26)/p+1