ethyl 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-4-30-23(27)24(16-18-7-5-9-20(15-18)28-2)11-13-25(14-12-24)17-19-8-6-10-21(29-3)22(19)26/h5-10,15,26H,4,11-14,16-17H2,1-3H3/p+1