methyl 3-[(3S,4R)-1-(2-adamantyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-(2-adamantyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-(2-adamantyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-(2-adamantyl)-4-(1-pyrrolidinyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-(2-adamantyl)-4-pyrrolidin-1-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(2-adamantyl)-4-pyrrolidino-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C23H39N2O2+ MolecularWeight: 375.56796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1N2CCCC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1N2CCCC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H38N2O2/c1-27-22(26)5-4-18-15-25(9-6-21(18)24-7-2-3-8-24)23-19-11-16-10-17(13-19)14-20(23)12-16/h16-21,23H,2-15H2,1H3/p+1/t16?,17?,18-,19?,20?,21+,23?/m0/s1