ethyl 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-ethoxybenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H25NO3/c1-3-20-16-8-6-5-7-15(16)13-18-11-9-14(10-12-18)17(19)21-4-2/h5-8,14H,3-4,9-13H2,1-2H3/p+1