ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-phenethyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-phenethyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H34NO3+ MolecularWeight: 360.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC2=CC=CC=C2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC2=CC=CC=C2)C[C@H]3CCCCO3

InChI

InChI=1S/C22H33NO3/c1-2-25-21(24)22(18-20-10-6-7-17-26-20)12-15-23(16-13-22)14-11-19-8-4-3-5-9-19/h3-5,8-9,20H,2,6-7,10-18H2,1H3/p+1/t20-/m1/s1