5-bromanyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C17H17BrN5O2+ MolecularWeight: 403.25318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=NC=CC=N4

InChI

InChI=1S/C17H16BrN5O2/c18-12-2-3-14-13(10-12)15(24)16(25)23(14)11-21-6-8-22(9-7-21)17-19-4-1-5-20-17/h1-5,10H,6-9,11H2/p+1