[3-but-1-ynyl-4-[1-(2-oxidanylethanoyloxy)cyclohexyl]phenyl]-diethyl-methyl-azanium iodide

Systemtic Name: [3-but-1-ynyl-4-[1-(2-oxidanylethanoyloxy)cyclohexyl]phenyl]-diethyl-methyl-azanium iodide Openeye Name: [3-but-1-ynyl-4-[1-(2-hydroxyacetyl)oxycyclohexyl]phenyl]-diethyl-methyl-ammonium iodide CAS Name: [3-but-1-ynyl-4-[1-(2-hydroxy-1-oxoethoxy)cyclohexyl]phenyl]-diethyl-methylammonium iodide IUPAC Name: [3-but-1-ynyl-4-[1-(2-hydroxyacetyl)oxycyclohexyl]phenyl]-diethyl-methylazanium iodide Traditional Name: [3-but-1-ynyl-4-(1-glycoloyloxycyclohexyl)phenyl]-diethyl-methyl-ammonium iodide Formula: C23H34INO3 MolecularWeight: 499.42543

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C=CC(=C1)[N+](C)(CC)CC)C2(CCCCC2)OC(=O)CO.[I-]

Isomeric SMILES

CCC#CC1=C(C=CC(=C1)[N+](C)(CC)CC)C2(CCCCC2)OC(=O)CO.[I-]

InChI

InChI=1S/C23H34NO3.HI/c1-5-8-12-19-17-20(24(4,6-2)7-3)13-14-21(19)23(27-22(26)18-25)15-10-9-11-16-23;/h13-14,17,25H,5-7,9-11,15-16,18H2,1-4H3;1H/q+1;/p-1