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

Systemtic Name: ethyl (3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO5+ MolecularWeight: 324.39204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5/c1-4-23-17(20)13-6-5-7-18(11-13)10-12-8-14(21-2)16(19)15(9-12)22-3/h8-9,13,19H,4-7,10-11H2,1-3H3/p+1/t13-/m0/s1