[3-chloranyl-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]methylazanium

Systemtic Name: [3-chloranyl-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]methylazanium Openeye Name: [3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]methylammonium CAS Name: [3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylammonium IUPAC Name: [3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylazanium Traditional Name: [3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxy-benzyl]ammonium Formula: C19H25ClNO3+ MolecularWeight: 350.8597

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClNO3/c1-4-22-18-11-15(12-21)10-16(20)19(18)24-8-7-23-17-9-13(2)5-6-14(17)3/h5-6,9-11H,4,7-8,12,21H2,1-3H3/p+1