methyl 3-[(3S,4R)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(2-hydroxy-5-methoxy-benzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C21H34N2O5+2 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)[NH+]3CCOCC3

InChI

InChI=1S/C21H32N2O5/c1-26-18-4-5-20(24)17(13-18)15-22-8-7-19(23-9-11-28-12-10-23)16(14-22)3-6-21(25)27-2/h4-5,13,16,19,24H,3,6-12,14-15H2,1-2H3/p+2/t16-,19+/m0/s1