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

Systemtic Name: methyl 3-[(3S,4R)-4-morpholin-4-yl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-4-morpholino-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-4-(4-morpholinyl)-1-[(3-phenoxyphenyl)methyl]-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-morpholin-4-yl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-4-morpholino-1-(3-phenoxybenzyl)piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1N2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1N2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O4/c1-30-26(29)11-10-22-20-27(13-12-25(22)28-14-16-31-17-15-28)19-21-6-5-9-24(18-21)32-23-7-3-2-4-8-23/h2-9,18,22,25H,10-17,19-20H2,1H3/p+1/t22-,25+/m0/s1