ethyl (3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29ClNO5+ MolecularWeight: 386.89026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClNO5/c1-4-26-18(23)19(7-9-24-2)6-5-8-21(13-19)12-14-10-15(20)17(22)16(11-14)25-3/h10-11,22H,4-9,12-13H2,1-3H3/p+1/t19-/m0/s1