[4-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-3-chloranyl-5-methoxy-phenyl]methylazanium

Systemtic Name: [4-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-3-chloranyl-5-methoxy-phenyl]methylazanium Openeye Name: [4-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-3-chloro-5-methoxy-phenyl]methylammonium CAS Name: [4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methylammonium IUPAC Name: [4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methylazanium Traditional Name: [4-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]-3-chloro-5-methoxy-benzyl]ammonium Formula: C22H31ClNO3+ MolecularWeight: 392.93944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C[NH3+])OC)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C[NH3+])OC)C(C)(C)C

InChI

InChI=1S/C22H30ClNO3/c1-6-15-7-8-19(17(11-15)22(2,3)4)26-9-10-27-21-18(23)12-16(14-24)13-20(21)25-5/h7-8,11-13H,6,9-10,14,24H2,1-5H3/p+1