ethyl 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H33N2O4S+ MolecularWeight: 433.58412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=CS3)C)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=CS3)C)C[C@H]4CCCCO4

InChI

InChI=1S/C23H32N2O4S/c1-3-27-22(26)23(15-18-7-4-5-13-28-18)9-11-25(12-10-23)16-19-17(2)29-21(24-19)20-8-6-14-30-20/h6,8,14,18H,3-5,7,9-13,15-16H2,1-2H3/p+1/t18-/m1/s1