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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)O)OC)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33NO6/c1-4-31-24(28)25(12-14-32-20-9-6-5-7-10-20)11-8-13-26(18-25)17-19-15-21(29-2)23(27)22(16-19)30-3/h5-7,9-10,15-16,27H,4,8,11-14,17-18H2,1-3H3/p+1/t25-/m0/s1