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

Systemtic Name: methyl 1-[(2S)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-p-anisyloxy-propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5/c1-22-17-5-3-14(4-6-17)12-24-13-16(20)11-19-9-7-15(8-10-19)18(21)23-2/h3-6,15-16,20H,7-13H2,1-2H3/p+1/t16-/m0/s1