[3-ethoxy-4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethoxy]phenyl]methylazanium

Systemtic Name: [3-ethoxy-4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethoxy]phenyl]methylazanium Openeye Name: [3-ethoxy-4-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]phenyl]methylammonium CAS Name: [3-ethoxy-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [3-ethoxy-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [3-ethoxy-4-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]benzyl]ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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