ethyl 1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-hydroxy-3,5-dimethyl-benzyl)-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)C)O)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)C)O)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H33NO4/c1-5-30-24(28)25(16-20-7-6-8-22(15-20)29-4)9-11-26(12-10-25)17-21-13-18(2)23(27)19(3)14-21/h6-8,13-15,27H,5,9-12,16-17H2,1-4H3/p+1