tert-butyl-[(2-cyclohexyl-3-ethynyl-1-pyridin-4-yl-1H-isoquinolin-2-ium-2-yl)oxy]-dimethyl-silane

Systemtic Name: tert-butyl-[(2-cyclohexyl-3-ethynyl-1-pyridin-4-yl-1H-isoquinolin-2-ium-2-yl)oxy]-dimethyl-silane Openeye Name: tert-butyl-[[2-cyclohexyl-3-ethynyl-1-(4-pyridyl)-1H-isoquinolin-2-ium-2-yl]oxy]-dimethyl-silane CAS Name: tert-butyl-[(2-cyclohexyl-3-ethynyl-1-pyridin-4-yl-1H-isoquinolin-2-ium-2-yl)oxy]-dimethylsilane IUPAC Name: tert-butyl-[(2-cyclohexyl-3-ethynyl-1-pyridin-4-yl-1H-isoquinolin-2-ium-2-yl)oxy]-dimethylsilane Traditional Name: tert-butyl-[[2-cyclohexyl-3-ethynyl-1-(4-pyridyl)-1H-isoquinolin-2-ium-2-yl]oxy]-dimethyl-silane Formula: C28H37N2OSi+ MolecularWeight: 445.69168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)O[N+]1(C(C2=CC=CC=C2C=C1C#C)C3=CC=NC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)[Si](C)(C)O[N+]1(C(C2=CC=CC=C2C=C1C#C)C3=CC=NC=C3)C4CCCCC4

InChI

InChI=1S/C28H37N2OSi/c1-7-24-21-23-13-11-12-16-26(23)27(22-17-19-29-20-18-22)30(24,25-14-9-8-10-15-25)31-32(5,6)28(2,3)4/h1,11-13,16-21,25,27H,8-10,14-15H2,2-6H3/q+1