1-hexadecyl-2,3,3-trimethyl-2H-indole iodide

Systemtic Name: 1-hexadecyl-2,3,3-trimethyl-2H-indole iodide Openeye Name: 1-hexadecyl-2,3,3-trimethyl-indoline iodide CAS Name: 1-hexadecyl-2,3,3-trimethyl-2H-indole iodide IUPAC Name: 1-hexadecyl-2,3,3-trimethyl-2H-indole iodide Traditional Name: 1-cetyl-2,3,3-trimethyl-indoline iodide Formula: C27H47IN- MolecularWeight: 512.57325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(C(C2=CC=CC=C21)(C)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(C(C2=CC=CC=C21)(C)C)C.[I-]

InChI

InChI=1S/C27H47N.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-24(2)27(3,4)25-21-18-19-22-26(25)28;/h18-19,21-22,24H,5-17,20,23H2,1-4H3;1H/p-1