methyl 3-[4-(bromomethyl)-3-fluoranyl-phenyl]carbonyl-1,1-bis(methylcarbamoyl)indol-1-ium-4-carboxylate

Systemtic Name: methyl 3-[4-(bromomethyl)-3-fluoranyl-phenyl]carbonyl-1,1-bis(methylcarbamoyl)indol-1-ium-4-carboxylate Openeye Name: methyl 3-[4-(bromomethyl)-3-fluoro-benzoyl]-1,1-bis(methylcarbamoyl)indol-1-ium-4-carboxylate CAS Name: 3-[[4-(bromomethyl)-3-fluorophenyl]-oxomethyl]-1,1-bis(methylcarbamoyl)-4-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(bromomethyl)-3-fluorobenzoyl]-1,1-bis(methylcarbamoyl)indol-1-ium-4-carboxylate Traditional Name: 3-[4-(bromomethyl)-3-fluoro-benzoyl]-1,1-bis(methylcarbamoyl)indol-1-ium-4-carboxylic acid methyl ester Formula: C22H20BrFN3O5+ MolecularWeight: 505.313703

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[N+]1(C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC(=C(C=C3)CBr)F)C(=O)NC

Isomeric SMILES

CNC(=O)[N+]1(C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC(=C(C=C3)CBr)F)C(=O)NC

InChI

InChI=1S/C22H19BrFN3O5/c1-25-21(30)27(22(31)26-2)11-15(18-14(20(29)32-3)5-4-6-17(18)27)19(28)12-7-8-13(10-23)16(24)9-12/h4-9,11H,10H2,1-3H3,(H-,25,26,30,31)/p+1