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

Systemtic Name: 2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-yl-ethanoate Openeye Name: 2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-(3-thienyl)acetate CAS Name: 2-cyclohexyl-2-(3-thiophenyl)acetic acid 2-(1-methyl-1-azepan-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylazepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-ylacetate Traditional Name: 2-cyclohexyl-2-(3-thienyl)acetic acid 2-(1-methylazepan-1-ium-1-yl)ethyl ester Formula: C21H34NO2S+ MolecularWeight: 364.56516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO2S/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/q+1