ethyl 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H25NO4/c1-3-21-15-7-5-6-14(16(15)19)12-18-10-8-13(9-11-18)17(20)22-4-2/h5-7,13,19H,3-4,8-12H2,1-2H3/p+1