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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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