methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(2-allyloxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-[(2-prop-2-enoxyphenyl)methyl]-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(2-allyloxybenzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C23H36N2O4+2 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=CC=CC=C3OCC=C

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C23H34N2O4/c1-3-14-29-22-7-5-4-6-20(22)18-24-11-10-21(25-12-15-28-16-13-25)19(17-24)8-9-23(26)27-2/h3-7,19,21H,1,8-18H2,2H3/p+2/t19-,21+/m0/s1