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

Systemtic Name: 5-bromanyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[(4-pyridin-1-ium-4-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=[NH+]C=C4

Isomeric SMILES

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

InChI

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