6-bromanyl-1-[(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 6-bromanyl-1-[(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 6-bromo-1-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 6-bromo-1-[[4-[4-morpholinyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 6-bromo-1-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 6-bromo-1-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C18H22BrN4O4+ MolecularWeight: 438.29568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Br)C(=O)C2=O)C(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Br)C(=O)C2=O)C(=O)N4CCOCC4

InChI

InChI=1S/C18H21BrN4O4/c19-13-1-2-14-15(11-13)23(17(25)16(14)24)12-20-3-5-21(6-4-20)18(26)22-7-9-27-10-8-22/h1-2,11H,3-10,12H2/p+1