(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(3-methylthiophen-2-yl)propanoate bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(3-methylthiophen-2-yl)propanoate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(3-methyl-2-thienyl)propanoate bromide CAS Name: 2-cyclopentyl-2-(3-methyl-2-thiophenyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(3-methylthiophen-2-yl)propanoate bromide Traditional Name: 2-cyclopentyl-2-(3-methyl-2-thienyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester bromide Formula: C20H32BrNO2S MolecularWeight: 430.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C)(C2CCCC2)C(=O)OC3CC[N+](CC3)(C)C.[Br-]

Isomeric SMILES

CC1=C(SC=C1)C(C)(C2CCCC2)C(=O)OC3CC[N+](CC3)(C)C.[Br-]

InChI

InChI=1S/C20H32NO2S.BrH/c1-15-11-14-24-18(15)20(2,16-7-5-6-8-16)19(22)23-17-9-12-21(3,4)13-10-17;/h11,14,16-17H,5-10,12-13H2,1-4H3;1H/q+1;/p-1