2-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C23H35N2O2+ MolecularWeight: 371.5362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H34N2O2/c1-23(2,3)25-21(26)14-27-20-6-4-15(5-7-20)13-24-22-18-9-16-8-17(11-18)12-19(22)10-16/h4-7,16-19,22,24H,8-14H2,1-3H3,(H,25,26)/p+1