4-[4-(azidomethyl)phenyl]carbonyl-N,N-dimethyl-1H-indol-1-ium-1-carboxamide bromide

Systemtic Name: 4-[4-(azidomethyl)phenyl]carbonyl-N,N-dimethyl-1H-indol-1-ium-1-carboxamide bromide Openeye Name: 4-[4-(azidomethyl)benzoyl]-N,N-dimethyl-1H-indol-1-ium-1-carboxamide bromide CAS Name: 4-[[4-(azidomethyl)phenyl]-oxomethyl]-N,N-dimethyl-1H-indol-1-ium-1-carboxamide bromide IUPAC Name: 4-[4-(azidomethyl)benzoyl]-N,N-dimethyl-1H-indol-1-ium-1-carboxamide bromide Traditional Name: 4-[4-(azidomethyl)benzoyl]-N,N-dimethyl-1H-indol-1-ium-1-carboxamide bromide Formula: C19H18BrN5O2 MolecularWeight: 428.28252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[NH+]1C=CC2=C(C=CC=C21)C(=O)C3=CC=C(C=C3)CN=[N+]=[N-].[Br-]

Isomeric SMILES

CN(C)C(=O)[NH+]1C=CC2=C(C=CC=C21)C(=O)C3=CC=C(C=C3)CN=[N+]=[N-].[Br-]

InChI

InChI=1S/C19H17N5O2.BrH/c1-23(2)19(26)24-11-10-15-16(4-3-5-17(15)24)18(25)14-8-6-13(7-9-14)12-21-22-20;/h3-11H,12H2,1-2H3;1H