methyl (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[4-(tert-butoxycarbonylamino)piperidin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2R)-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidin-1-iumyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2R)-2-[4-(tert-butoxycarbonylamino)piperidin-1-ium-1-yl]-2-phenyl-acetic acid methyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)20-15-10-12-21(13-11-15)16(17(22)24-4)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3,(H,20,23)/p+1/t16-/m1/s1