ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-isopropylthiazol-2-yl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-[(4-propan-2-yl-2-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-isopropylthiazol-2-yl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H35N2O3S+ MolecularWeight: 395.5792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=CS2)C(C)C)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=CS2)C(C)C)C[C@H]3CCCCO3

InChI

InChI=1S/C21H34N2O3S/c1-4-25-20(24)21(13-17-7-5-6-12-26-17)8-10-23(11-9-21)14-19-22-18(15-27-19)16(2)3/h15-17H,4-14H2,1-3H3/p+1/t17-/m1/s1