ethyl (2R)-1-[[3-(1-thiophen-2-ylcarbonylpiperidin-4-yl)oxyphenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[3-(1-thiophen-2-ylcarbonylpiperidin-4-yl)oxyphenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[3-[[1-(thiophene-2-carbonyl)-4-piperidyl]oxy]phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-[[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]oxy]phenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[3-[[1-(2-thenoyl)-4-piperidyl]oxy]benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C25H33N2O4S+ MolecularWeight: 457.60552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H32N2O4S/c1-2-30-25(29)22-9-3-4-13-27(22)18-19-7-5-8-21(17-19)31-20-11-14-26(15-12-20)24(28)23-10-6-16-32-23/h5-8,10,16-17,20,22H,2-4,9,11-15,18H2,1H3/p+1/t22-/m1/s1