ethyl 1-[3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-(4-methylthiophen-2-yl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-(4-methylthiophen-2-yl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-(4-methyl-2-thienyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-[[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]-6-(4-methyl-2-thiophenyl)-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-(4-methylthiophen-2-yl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-(4-methyl-2-thienyl)-2-pyridyl]isonipecotic acid ethyl ester Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(N=C(C=C2)C3=CC(=CS3)C)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=C(N=C(C=C2)C3=CC(=CS3)C)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C26H36N4O3S/c1-4-29-12-6-7-20(29)16-27-25(31)21-8-9-22(23-15-18(3)17-34-23)28-24(21)30-13-10-19(11-14-30)26(32)33-5-2/h8-9,15,17,19-20H,4-7,10-14,16H2,1-3H3,(H,27,31)/p+1/t20-/m1/s1