[3-chloranyl-5-ethoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methylazanium Openeye Name: [3-chloro-4-[2-[4-(1,1-dimethylpropyl)phenoxy]ethoxy]-5-ethoxy-phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methylazanium Traditional Name: [4-[2-(4-tert-amylphenoxy)ethoxy]-3-chloro-5-ethoxy-benzyl]ammonium Formula: C22H31ClNO3+ MolecularWeight: 392.93944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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