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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C18H27NO5/c1-5-24-18(20)13-8-10-19(11-9-13)12-14-6-7-15(21-2)17(23-4)16(14)22-3/h6-7,13H,5,8-12H2,1-4H3/p+1