[(E)-2,5-dimethyl-7-(2,6,6-trimethylcyclohex-2-en-1-yl)hept-6-en-3-yn-2-yl]azanium iodide

Systemtic Name: [(E)-2,5-dimethyl-7-(2,6,6-trimethylcyclohex-2-en-1-yl)hept-6-en-3-yn-2-yl]azanium iodide Openeye Name: [(E)-1,1,4-trimethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-2-ynyl]ammonium iodide CAS Name: [(E)-2,5-dimethyl-7-(2,6,6-trimethyl-1-cyclohex-2-enyl)hept-6-en-3-yn-2-yl]ammonium iodide IUPAC Name: [(E)-2,5-dimethyl-7-(2,6,6-trimethylcyclohex-2-en-1-yl)hept-6-en-3-yn-2-yl]azanium iodide Traditional Name: [(E)-1,1,4-trimethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-2-ynyl]ammonium iodide Formula: C18H30IN MolecularWeight: 387.34197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(C)C#CC(C)(C)[NH3+])(C)C.[I-]

Isomeric SMILES

CC1=CCCC(C1/C=C/C(C)C#CC(C)(C)[NH3+])(C)C.[I-]

InChI

InChI=1S/C18H29N.HI/c1-14(11-13-18(5,6)19)9-10-16-15(2)8-7-12-17(16,3)4;/h8-10,14,16H,7,12,19H2,1-6H3;1H/b10-9+;