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

Systemtic Name: methyl 3-[(3S,4R)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(4-morpholinyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(3-hydroxy-4-methoxy-benzyl)-4-morpholino-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C21H33N2O5+ MolecularWeight: 393.49712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)N3CCOCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)N3CCOCC3)O

InChI

InChI=1S/C21H32N2O5/c1-26-20-5-3-16(13-19(20)24)14-22-8-7-18(23-9-11-28-12-10-23)17(15-22)4-6-21(25)27-2/h3,5,13,17-18,24H,4,6-12,14-15H2,1-2H3/p+1/t17-,18+/m0/s1