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

Systemtic Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(4-benzyloxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(4-benzoxybenzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C27H38N2O4+2 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O4/c1-31-27(30)12-9-24-20-28(14-13-26(24)29-15-17-32-18-16-29)19-22-7-10-25(11-8-22)33-21-23-5-3-2-4-6-23/h2-8,10-11,24,26H,9,12-21H2,1H3/p+2/t24-,26+/m0/s1