methyl 1-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H28NO7+ MolecularWeight: 382.42812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH+]2CCC(CC2)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C19H27NO7/c1-24-17-10-14(19(23)26-3)4-5-16(17)27-12-15(21)11-20-8-6-13(7-9-20)18(22)25-2/h4-5,10,13,15,21H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1