ethyl (3R)-1-(oxan-4-yl)-3-phenethyl-piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-(oxan-4-yl)-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-phenethyl-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(4-oxanyl)-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(oxan-4-yl)-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-phenethyl-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCOCC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCOCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO3/c1-2-25-20(23)21(13-9-18-7-4-3-5-8-18)12-6-14-22(17-21)19-10-15-24-16-11-19/h3-5,7-8,19H,2,6,9-17H2,1H3/p+1/t21-/m0/s1