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

Systemtic Name: [4-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-3-chloranyl-5-methoxy-phenyl]methylazanium Openeye Name: [4-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-3-chloro-5-methoxy-phenyl]methylammonium CAS Name: [4-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methylammonium IUPAC Name: [4-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methylazanium Traditional Name: [4-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]-3-chloro-5-methoxy-benzyl]ammonium Formula: C21H29ClNO3+ MolecularWeight: 378.91286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C[NH3+])OC)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C[NH3+])OC)C(C)(C)C

InChI

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