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

Systemtic Name: ethyl 4-phenethyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-phenethyl-1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-phenethyl-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H36NO5+ MolecularWeight: 442.56774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C26H35NO5/c1-5-32-25(28)26(12-11-20-9-7-6-8-10-20)13-15-27(16-14-26)19-21-17-23(30-3)24(31-4)18-22(21)29-2/h6-10,17-18H,5,11-16,19H2,1-4H3/p+1