ethyl (3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C18H27NO5/c1-5-24-18(20)13-7-6-8-19(11-13)12-14-9-16(22-3)17(23-4)10-15(14)21-2/h9-10,13H,5-8,11-12H2,1-4H3/p+1/t13-/m0/s1