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

Systemtic Name: [4-[2-(2-tert-butyl-4-methoxy-phenoxy)ethoxy]-3-chloranyl-5-methoxy-phenyl]methylazanium Openeye Name: [4-[2-(2-tert-butyl-4-methoxy-phenoxy)ethoxy]-3-chloro-5-methoxy-phenyl]methylammonium CAS Name: [4-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methylammonium IUPAC Name: [4-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methylazanium Traditional Name: [4-[2-(2-tert-butyl-4-methoxy-phenoxy)ethoxy]-3-chloro-5-methoxy-benzyl]ammonium Formula: C21H29ClNO4+ MolecularWeight: 394.91226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO4/c1-21(2,3)16-12-15(24-4)6-7-18(16)26-8-9-27-20-17(22)10-14(13-23)11-19(20)25-5/h6-7,10-12H,8-9,13,23H2,1-5H3/p+1