(3-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: (3-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (3-benzyloxyphenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (3-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (3-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (3-benzoxybenzyl)-(1,1,3,3-tetramethylbutyl)ammonium Formula: C22H32NO+ MolecularWeight: 326.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO/c1-21(2,3)17-22(4,5)23-15-19-12-9-13-20(14-19)24-16-18-10-7-6-8-11-18/h6-14,23H,15-17H2,1-5H3/p+1