ethyl (3R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@H](C2)C(=O)OCC)O

InChI

InChI=1S/C17H25NO4/c1-3-21-16-10-13(7-8-15(16)19)11-18-9-5-6-14(12-18)17(20)22-4-2/h7-8,10,14,19H,3-6,9,11-12H2,1-2H3/p+1/t14-/m1/s1