[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl-(2-cyanoethyl)-cyclohexyl-azanium

Systemtic Name: [5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl-(2-cyanoethyl)-cyclohexyl-azanium Openeye Name: (5-bromo-2,3-dioxo-indolin-1-yl)methyl-(2-cyanoethyl)-cyclohexyl-ammonium CAS Name: (5-bromo-2,3-dioxo-1-indolyl)methyl-(2-cyanoethyl)-cyclohexylammonium IUPAC Name: (5-bromo-2,3-dioxoindol-1-yl)methyl-(2-cyanoethyl)-cyclohexylazanium Traditional Name: (5-bromo-2,3-diketo-indolin-1-yl)methyl-(2-cyanoethyl)-cyclohexyl-ammonium Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CCC#N)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

C1CCC(CC1)[NH+](CCC#N)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C18H20BrN3O2/c19-13-7-8-16-15(11-13)17(23)18(24)22(16)12-21(10-4-9-20)14-5-2-1-3-6-14/h7-8,11,14H,1-6,10,12H2/p+1