trimethyl-[4-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[6-(5-nitro-1-indolyl)hexoxy-oxomethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[6-(5-nitroindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide Traditional Name: trimethyl-[4-[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=C(C=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

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

InChI

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