1-adamantyl-[2-[[2,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[2,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2,5-dicarbomethoxyanilino)-2-keto-ethyl]ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O5/c1-28-20(26)16-3-4-17(21(27)29-2)18(8-16)24-19(25)12-23-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15,23H,5-7,9-12H2,1-2H3,(H,24,25)/p+1