methyl 3-[(3S,4R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(4-morpholinyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(3-ethoxy-4-hydroxy-benzyl)-4-morpholino-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C22H35N2O5+ MolecularWeight: 407.5237

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)N3CCOCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)N3CCOCC3)O

InChI

InChI=1S/C22H34N2O5/c1-3-29-21-14-17(4-6-20(21)25)15-23-9-8-19(24-10-12-28-13-11-24)18(16-23)5-7-22(26)27-2/h4,6,14,18-19,25H,3,5,7-13,15-16H2,1-2H3/p+1/t18-,19+/m0/s1