trimethyl-[3-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[3-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide Openeye Name: trimethyl-[3-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]ammonium iodide CAS Name: trimethyl-[3-[6-(5-nitro-1-indolyl)hexoxy-oxomethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[3-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide Traditional Name: trimethyl-[3-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]ammonium iodide Formula: C24H30IN3O4 MolecularWeight: 551.41717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N3O4.HI/c1-27(2,3)22-10-8-9-20(18-22)24(28)31-16-7-5-4-6-14-25-15-13-19-17-21(26(29)30)11-12-23(19)25;/h8-13,15,17-18H,4-7,14,16H2,1-3H3;1H/q+1;/p-1