ethyl (2R)-1-[[3-[1-(5-methylthiophen-2-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[3-[1-(5-methylthiophen-2-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[3-[[1-(5-methylthiophene-2-carbonyl)-4-piperidyl]oxy]phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-[[1-[(5-methyl-2-thiophenyl)-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[3-[[1-(5-methylthiophene-2-carbonyl)-4-piperidyl]oxy]benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C26H35N2O4S+ MolecularWeight: 471.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=C(S4)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=C(S4)C

InChI

InChI=1S/C26H34N2O4S/c1-3-31-26(30)23-9-4-5-14-28(23)18-20-7-6-8-22(17-20)32-21-12-15-27(16-13-21)25(29)24-11-10-19(2)33-24/h6-8,10-11,17,21,23H,3-5,9,12-16,18H2,1-2H3/p+1/t23-/m1/s1