methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)propanoate

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-4-yl)propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(1-oxido-4-pyridin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-4-yl)propanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-4-yl)propionic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=[N+](C=C1)[O-])(C(=O)OC)NC(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(CC1=CC=[N+](C=C1)[O-])(C(=O)OC)NC(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H28N2O5/c1-21(19(24)27-2,12-13-3-5-23(26)6-4-13)22-20(25)28-18-16-8-14-7-15(10-16)11-17(18)9-14/h3-6,14-18H,7-12H2,1-2H3,(H,22,25)