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

Systemtic Name: ethyl 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-ethoxy-4-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=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)OCC)O

InChI

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