trimethyl-[3-[9-(5-nitroindol-1-yl)nonoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[3-[9-(5-nitroindol-1-yl)nonoxycarbonyl]phenyl]azanium iodide Openeye Name: trimethyl-[3-[9-(5-nitroindol-1-yl)nonoxycarbonyl]phenyl]ammonium iodide CAS Name: trimethyl-[3-[9-(5-nitro-1-indolyl)nonoxy-oxomethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[3-[9-(5-nitroindol-1-yl)nonoxycarbonyl]phenyl]azanium iodide Traditional Name: trimethyl-[3-[9-(5-nitroindol-1-yl)nonoxycarbonyl]phenyl]ammonium iodide Formula: C27H36IN3O4 MolecularWeight: 593.49691

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C27H36N3O4.HI/c1-30(2,3)25-13-11-12-23(21-25)27(31)34-19-10-8-6-4-5-7-9-17-28-18-16-22-20-24(29(32)33)14-15-26(22)28;/h11-16,18,20-21H,4-10,17,19H2,1-3H3;1H/q+1;/p-1