1-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C25H39N2O3+ MolecularWeight: 415.58876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C25H38N2O3/c1-5-29-22-11-17(6-7-21(22)30-16-23(28)27-24(2,3)4)15-26-25-12-18-8-19(13-25)10-20(9-18)14-25/h6-7,11,18-20,26H,5,8-10,12-16H2,1-4H3,(H,27,28)/p+1