1-butyl-2,3,3-trimethyl-5-nitro-indol-1-ium iodide

Systemtic Name: 1-butyl-2,3,3-trimethyl-5-nitro-indol-1-ium iodide Openeye Name: 1-butyl-2,3,3-trimethyl-5-nitro-indol-1-ium iodide CAS Name: 1-butyl-2,3,3-trimethyl-5-nitroindol-1-ium iodide IUPAC Name: 1-butyl-2,3,3-trimethyl-5-nitroindol-1-ium iodide Traditional Name: 1-butyl-2,3,3-trimethyl-5-nitro-indol-1-ium iodide Formula: C15H21IN2O2 MolecularWeight: 388.24391

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C.[I-]

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C.[I-]

InChI

InChI=1S/C15H21N2O2.HI/c1-5-6-9-16-11(2)15(3,4)13-10-12(17(18)19)7-8-14(13)16;/h7-8,10H,5-6,9H2,1-4H3;1H/q+1;/p-1