ethyl 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-hydroxy-3,5-dimethoxy-benzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO6+ MolecularWeight: 444.54056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33NO6/c1-4-31-24(28)25(12-15-32-20-8-6-5-7-9-20)10-13-26(14-11-25)18-19-16-21(29-2)23(27)22(17-19)30-3/h5-9,16-17,27H,4,10-15,18H2,1-3H3/p+1