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

Systemtic Name: ethyl 4-(phenylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5/c1-5-31-24(27)25(17-19-9-7-6-8-10-19)11-13-26(14-12-25)18-20-15-22(29-3)23(30-4)16-21(20)28-2/h6-10,15-16H,5,11-14,17-18H2,1-4H3/p+1