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

Systemtic Name: 5-bromanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isatin Formula: C18H19BrN4O2+2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H17BrN4O2/c19-13-4-5-15-14(11-13)17(24)18(25)23(15)12-21-7-9-22(10-8-21)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2/p+2