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

Systemtic Name: methyl 3-[(3S,4R)-1-[(4-hydroxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(4-hydroxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(4-hydroxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(4-hydroxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(4-hydroxybenzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C20H32N2O4+2 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C20H30N2O4/c1-25-20(24)7-4-17-15-21(14-16-2-5-18(23)6-3-16)9-8-19(17)22-10-12-26-13-11-22/h2-3,5-6,17,19,23H,4,7-15H2,1H3/p+2/t17-,19+/m0/s1