trimethyl-[4-[2-[8-(5-nitroindol-1-yl)octoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-[8-(5-nitroindol-1-yl)octoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[2-[8-(5-nitroindol-1-yl)octoxy]-2-oxo-ethyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[2-[8-(5-nitro-1-indolyl)octoxy]-2-oxoethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-[8-(5-nitroindol-1-yl)octoxy]-2-oxoethyl]phenyl]azanium iodide Traditional Name: [4-[2-keto-2-[8-(5-nitroindol-1-yl)octoxy]ethyl]phenyl]-trimethyl-ammonium iodide Formula: C27H36IN3O4 MolecularWeight: 593.49691

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C27H36N3O4.HI/c1-30(2,3)25-13-10-22(11-14-25)20-27(31)34-19-9-7-5-4-6-8-17-28-18-16-23-21-24(29(32)33)12-15-26(23)28;/h10-16,18,21H,4-9,17,19-20H2,1-3H3;1H/q+1;/p-1