[5-chloranyl-2-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylazanium

Systemtic Name: [5-chloranyl-2-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylazanium Openeye Name: [5-chloro-2-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylammonium CAS Name: [5-chloro-2-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [5-chloro-2-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [5-chloro-2-[2-(2,3,5-trimethylphenoxy)ethoxy]benzyl]ammonium Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCOC2=C(C=C(C=C2)Cl)C[NH3+])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCOC2=C(C=C(C=C2)Cl)C[NH3+])C)C

InChI

InChI=1S/C18H22ClNO2/c1-12-8-13(2)14(3)18(9-12)22-7-6-21-17-5-4-16(19)10-15(17)11-20/h4-5,8-10H,6-7,11,20H2,1-3H3/p+1