(1,1-dimethylpiperidin-1-ium-2-yl) 2-(4-cyclopentyl-3-oxidanyl-thiophen-2-yl)ethanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-(4-cyclopentyl-3-oxidanyl-thiophen-2-yl)ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-(4-cyclopentyl-3-hydroxy-2-thienyl)acetate CAS Name: 2-(4-cyclopentyl-3-hydroxy-2-thiophenyl)acetic acid (1,1-dimethyl-2-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-(4-cyclopentyl-3-hydroxythiophen-2-yl)acetate Traditional Name: 2-(4-cyclopentyl-3-hydroxy-2-thienyl)acetic acid (1,1-dimethylpiperidin-1-ium-2-yl) ester Formula: C18H28NO3S+ MolecularWeight: 338.48482

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1OC(=O)CC2=C(C(=CS2)C3CCCC3)O)C

Isomeric SMILES

C[N+]1(CCCCC1OC(=O)CC2=C(C(=CS2)C3CCCC3)O)C

InChI

InChI=1S/C18H27NO3S/c1-19(2)10-6-5-9-16(19)22-17(20)11-15-18(21)14(12-23-15)13-7-3-4-8-13/h12-13,16H,3-11H2,1-2H3/p+1