2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-yl-ethanoate iodide

Systemtic Name: 2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-yl-ethanoate iodide Openeye Name: 2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-(3-thienyl)acetate iodide CAS Name: 2-cyclohexyl-2-(3-thiophenyl)acetic acid 2-(1-methyl-1-azepan-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-ylacetate iodide Traditional Name: 2-cyclohexyl-2-(3-thienyl)acetic acid 2-(1-methylazepan-1-ium-1-yl)ethyl ester iodide Formula: C21H34INO2S MolecularWeight: 491.46963

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3.[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3.[I-]

InChI

InChI=1S/C21H34NO2S.HI/c1-22(12-7-2-3-8-13-22)14-15-24-21(23)20(19-11-16-25-17-19)18-9-5-4-6-10-18;/h11,16-18,20H,2-10,12-15H2,1H3;1H/q+1;/p-1