[3-ethoxy-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]methylazanium

Systemtic Name: [3-ethoxy-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]methylazanium Openeye Name: [3-ethoxy-4-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]methylammonium CAS Name: [3-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [3-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [3-ethoxy-4-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]benzyl]ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH3+])OCCOC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH3+])OCCOC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H29NO3/c1-5-23-21-13-17(14-22)6-9-20(21)25-11-10-24-18-7-8-19(15(2)3)16(4)12-18/h6-9,12-13,15H,5,10-11,14,22H2,1-4H3/p+1