5-methoxy-2,3,3-trimethyl-1-propyl-indol-1-ium iodide

Systemtic Name: 5-methoxy-2,3,3-trimethyl-1-propyl-indol-1-ium iodide Openeye Name: 5-methoxy-2,3,3-trimethyl-1-propyl-indol-1-ium iodide CAS Name: 5-methoxy-2,3,3-trimethyl-1-propylindol-1-ium iodide IUPAC Name: 5-methoxy-2,3,3-trimethyl-1-propylindol-1-ium iodide Traditional Name: 5-methoxy-2,3,3-trimethyl-1-propyl-indol-1-ium iodide Formula: C15H22INO MolecularWeight: 359.24575

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(C2=C1C=CC(=C2)OC)(C)C)C.[I-]

Isomeric SMILES

CCC[N+]1=C(C(C2=C1C=CC(=C2)OC)(C)C)C.[I-]

InChI

InChI=1S/C15H22NO.HI/c1-6-9-16-11(2)15(3,4)13-10-12(17-5)7-8-14(13)16;/h7-8,10H,6,9H2,1-5H3;1H/q+1;/p-1