1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-2-pyridin-1-ium-1-yl-ethanone iodide

Systemtic Name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-2-pyridin-1-ium-1-yl-ethanone iodide Openeye Name: 1-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-2-pyridin-1-ium-1-yl-ethanone iodide CAS Name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-2-(1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-2-pyridin-1-ium-1-ylethanone iodide Traditional Name: 1-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-2-pyridin-1-ium-1-yl-ethanone iodide Formula: C22H28INO MolecularWeight: 449.36829

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C1C=C(C=C2C(=O)C[N+]3=CC=CC=C3)C(C)(C)C)C.[I-]

Isomeric SMILES

CC1(CCC2=C1C=C(C=C2C(=O)C[N+]3=CC=CC=C3)C(C)(C)C)C.[I-]

InChI

InChI=1S/C22H28NO.HI/c1-21(2,3)16-13-18(17-9-10-22(4,5)19(17)14-16)20(24)15-23-11-7-6-8-12-23;/h6-8,11-14H,9-10,15H2,1-5H3;1H/q+1;/p-1