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

Systemtic Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(2-naphthylmethyl)piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(2-naphthalenylmethyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(2-naphthylmethyl)piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C24H34N2O3+2 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H32N2O3/c1-28-24(27)9-8-22-18-25(11-10-23(22)26-12-14-29-15-13-26)17-19-6-7-20-4-2-3-5-21(20)16-19/h2-7,16,22-23H,8-15,17-18H2,1H3/p+2/t22-,23+/m0/s1