[2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-5-chloranyl-phenyl]methylazanium

Systemtic Name: [2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-5-chloranyl-phenyl]methylazanium Openeye Name: [2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-5-chloro-phenyl]methylammonium CAS Name: [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-5-chlorophenyl]methylammonium IUPAC Name: [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-5-chlorophenyl]methylazanium Traditional Name: [2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-5-chloro-benzyl]ammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-5-15-6-8-20(18(12-15)21(2,3)4)25-11-10-24-19-9-7-17(22)13-16(19)14-23/h6-9,12-13H,5,10-11,14,23H2,1-4H3/p+1