[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloranyl-5-ethoxy-phenyl]methylazanium

Systemtic Name: [4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloranyl-5-ethoxy-phenyl]methylazanium Openeye Name: [4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxy-phenyl]methylammonium CAS Name: [4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]methylammonium IUPAC Name: [4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]methylazanium Traditional Name: [4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxy-benzyl]ammonium Formula: C21H29ClNO3+ MolecularWeight: 378.91286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO3/c1-5-24-19-13-15(14-23)12-18(22)20(19)26-11-10-25-17-8-6-16(7-9-17)21(2,3)4/h6-9,12-13H,5,10-11,14,23H2,1-4H3/p+1