[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-phenethyl-azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-phenethyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-phenethylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-phenethyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H30N2O3/c1-22(2,3)24-21(25)16-27-19-11-10-18(14-20(19)26-4)15-23-13-12-17-8-6-5-7-9-17/h5-11,14,23H,12-13,15-16H2,1-4H3,(H,24,25)/p+1