trimethyl-[4-[7-(5-nitroindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[7-(5-nitroindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[7-(5-nitroindol-1-yl)heptoxycarbonyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[7-(5-nitro-1-indolyl)heptoxy-oxomethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[7-(5-nitroindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide Traditional Name: trimethyl-[4-[7-(5-nitroindol-1-yl)heptoxycarbonyl]phenyl]ammonium iodide Formula: C25H32IN3O4 MolecularWeight: 565.44375

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C25H32N3O4.HI/c1-28(2,3)23-12-9-20(10-13-23)25(29)32-18-8-6-4-5-7-16-26-17-15-21-19-22(27(30)31)11-14-24(21)26;/h9-15,17,19H,4-8,16,18H2,1-3H3;1H/q+1;/p-1