tetrakis[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]azanium iodide

Systemtic Name: tetrakis[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]azanium iodide Openeye Name: tetrakis[4-(1,3-dioxoisoindolin-2-yl)butyl]ammonium iodide CAS Name: tetrakis[4-(1,3-dioxo-2-isoindolyl)butyl]ammonium iodide IUPAC Name: tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium iodide Traditional Name: tetrakis(4-phthalimidobutyl)ammonium iodide Formula: C48H48IN5O8 MolecularWeight: 949.82789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC[N+](CCCCN3C(=O)C4=CC=CC=C4C3=O)(CCCCN5C(=O)C6=CC=CC=C6C5=O)CCCCN7C(=O)C8=CC=CC=C8C7=O.[I-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC[N+](CCCCN3C(=O)C4=CC=CC=C4C3=O)(CCCCN5C(=O)C6=CC=CC=C6C5=O)CCCCN7C(=O)C8=CC=CC=C8C7=O.[I-]

InChI

InChI=1S/C48H48N5O8.HI/c54-41-33-17-1-2-18-34(33)42(55)49(41)25-9-13-29-53(30-14-10-26-50-43(56)35-19-3-4-20-36(35)44(50)57,31-15-11-27-51-45(58)37-21-5-6-22-38(37)46(51)59)32-16-12-28-52-47(60)39-23-7-8-24-40(39)48(52)61;/h1-8,17-24H,9-16,25-32H2;1H/q+1;/p-1