2-[2-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-5-chloranyl-phenyl]ethylazanium

Systemtic Name: 2-[2-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-5-chloranyl-phenyl]ethylazanium Openeye Name: 2-[2-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-5-chloro-phenyl]ethylammonium CAS Name: 2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-5-chlorophenyl]ethylammonium IUPAC Name: 2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-5-chlorophenyl]ethylazanium Traditional Name: 2-[2-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-5-chloro-phenyl]ethylammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-15-5-7-20(18(13-15)21(2,3)4)25-12-11-24-19-8-6-17(22)14-16(19)9-10-23/h5-8,13-14H,9-12,23H2,1-4H3/p+1