[3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]phenyl]methylazanium

Systemtic Name: [3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]phenyl]methylazanium Openeye Name: [3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]phenyl]methylammonium CAS Name: [3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [3-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]benzyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCOC2=CC=CC(=C2)C[NH3+])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCOC2=CC=CC(=C2)C[NH3+])C(C)(C)C

InChI

InChI=1S/C21H29NO2/c1-5-16-9-10-20(19(14-16)21(2,3)4)24-12-11-23-18-8-6-7-17(13-18)15-22/h6-10,13-14H,5,11-12,15,22H2,1-4H3/p+1