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

Systemtic Name: 7-bromanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 7-bromo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 7-bromo-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 7-bromo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 7-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=CC=C3Br)C(=O)C2=O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC=C3Br)C(=O)C2=O)C4=CC=CC=[NH+]4

InChI

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