3-[4-(aminomethyl)phenyl]carbonyl-4-bromanyl-N1,N1'-dimethyl-indol-1-ium-1,1-dicarboxamide

Systemtic Name: 3-[4-(aminomethyl)phenyl]carbonyl-4-bromanyl-N1,N1'-dimethyl-indol-1-ium-1,1-dicarboxamide Openeye Name: 3-[4-(aminomethyl)benzoyl]-4-bromo-N1,N1'-dimethyl-indol-1-ium-1,1-dicarboxamide CAS Name: 3-[[4-(aminomethyl)phenyl]-oxomethyl]-4-bromo-N1,N1'-dimethylindol-1-ium-1,1-dicarboxamide IUPAC Name: 3-[4-(aminomethyl)benzoyl]-4-bromo-1-N,1-N'-dimethylindol-1-ium-1,1-dicarboxamide Traditional Name: 3-[4-(aminomethyl)benzoyl]-4-bromo-N,N'-dimethyl-indol-1-ium-1,1-dicarboxamide Formula: C20H20BrN4O3+ MolecularWeight: 444.3018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[N+]1(C=C(C2=C1C=CC=C2Br)C(=O)C3=CC=C(C=C3)CN)C(=O)NC

Isomeric SMILES

CNC(=O)[N+]1(C=C(C2=C1C=CC=C2Br)C(=O)C3=CC=C(C=C3)CN)C(=O)NC

InChI

InChI=1S/C20H19BrN4O3/c1-23-19(27)25(20(28)24-2)11-14(17-15(21)4-3-5-16(17)25)18(26)13-8-6-12(10-22)7-9-13/h3-9,11H,10,22H2,1-2H3,(H-,23,24,27,28)/p+1