ethyl (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C18H27NO5/c1-5-24-18(20)14-8-6-7-11-19(14)12-13-9-10-15(21-2)17(23-4)16(13)22-3/h9-10,14H,5-8,11-12H2,1-4H3/p+1/t14-/m0/s1