trimethyl-[4-[2-[6-(5-nitroindol-1-yl)hexoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-[6-(5-nitroindol-1-yl)hexoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[2-[6-(5-nitroindol-1-yl)hexoxy]-2-oxo-ethyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[2-[6-(5-nitro-1-indolyl)hexoxy]-2-oxoethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-[6-(5-nitroindol-1-yl)hexoxy]-2-oxoethyl]phenyl]azanium iodide Traditional Name: [4-[2-keto-2-[6-(5-nitroindol-1-yl)hexoxy]ethyl]phenyl]-trimethyl-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)CC(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C25H32N3O4.HI/c1-28(2,3)23-11-8-20(9-12-23)18-25(29)32-17-7-5-4-6-15-26-16-14-21-19-22(27(30)31)10-13-24(21)26;/h8-14,16,19H,4-7,15,17-18H2,1-3H3;1H/q+1;/p-1