ethyl (2R,3R)-2-methyl-3-phenyl-3-piperidin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (2R,3R)-2-methyl-3-phenyl-3-piperidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2R,3R)-2-methyl-3-phenyl-3-piperidin-1-ium-1-yl-propanoate CAS Name: (2R,3R)-2-methyl-3-phenyl-3-(1-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-methyl-3-phenyl-3-piperidin-1-ium-1-ylpropanoate Traditional Name: (2R,3R)-2-methyl-3-phenyl-3-piperidin-1-ium-1-yl-propionic acid ethyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C1=CC=CC=C1)[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)[C@H](C)[C@H](C1=CC=CC=C1)[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO2/c1-3-20-17(19)14(2)16(15-10-6-4-7-11-15)18-12-8-5-9-13-18/h4,6-7,10-11,14,16H,3,5,8-9,12-13H2,1-2H3/p+1/t14-,16-/m1/s1